2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide

C116H108N14O13 — CID 158992434

IUPAC2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide
SMILESC=C1C=C(C(=O)NC2(c3ccc(C)cc3)CCOc3cccnc32)C=CN1.C=C1C=C(C(=O)NC2(c3ccc(C)cc3)CCOc3cccnc32)C=CN1C.C=C1Nc2ccc(C(=O)NC3(c4ccc(C)cc4)CCOc4cccnc43)cc2O1.Cc1ccc(C2(NC(=O)c3ccc(=O)n(C)c3)CCOc3cccnc32)cc1.Cc1ccc(C2(NC(=O)c3ccc4c(c3)CCC4=O)CCOc3cccnc32)cc1
InChIInChI=1S/C25H22N2O3.C24H21N3O3.C23H23N3O2.C22H21N3O3.C22H21N3O2/c1-16-4-8-19(9-5-16)25(12-14-30-22-3-2-13-26-23(22)25)27-24(29)18-6-10-20-17(15-18)7-11-21(20)28;1-15-5-8-18(9-6-15)24(11-13-29-20-4-3-12-25-22(20)24)27-23(28)17-7-10-19-21(14-17)30-16(2)26-19;1-16-6-8-19(9-7-16)23(11-14-28-20-5-4-12-24-21(20)23)25-22(27)18-10-13-26(3)17(2)15-18;1-15-5-8-17(9-6-15)22(11-13-28-18-4-3-12-23-20(18)22)24-21(27)16-7-10-19(26)25(2)14-16;1-15-5-7-18(8-6-15)22(10-13-27-19-4-3-11-24-20(19)22)25-21(26)17-9-12-23-16(2)14-17/h2-6,8-10,13,15H,7,11-12,14H2,1H3,(H,27,29);3-10,12,14,26H,2,11,13H2,1H3,(H,27,28);4-10,12-13,15H,2,11,14H2,1,3H3,(H,25,27);3-10,12,14H,11,13H2,1-2H3,(H,24,27);3-9,11-12,14,23H,2,10,13H2,1H3,(H,25,26)
InChIKeyJQIFAPDJAQCBHW-UHFFFAOYSA-N
MW1906.22 g/mol
LogP17.16
Rot. Bonds15

About 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide

2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide (PubChem CID 158992434) has the molecular formula C116H108N14O13 and a molecular weight of 1906.22 g/mol. Its IUPAC name is 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide
PubChem CID158992434
Molecular FormulaC116H108N14O13
Molecular Weight1906.22 g/mol
Exact Mass1904.82
IUPAC Name2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide
SMILESC=C1C=C(C(=O)NC2(c3ccc(C)cc3)CCOc3cccnc32)C=CN1.C=C1C=C(C(=O)NC2(c3ccc(C)cc3)CCOc3cccnc32)C=CN1C.C=C1Nc2ccc(C(=O)NC3(c4ccc(C)cc4)CCOc4cccnc43)cc2O1.Cc1ccc(C2(NC(=O)c3ccc(=O)n(C)c3)CCOc3cccnc32)cc1.Cc1ccc(C2(NC(=O)c3ccc4c(c3)CCC4=O)CCOc3cccnc32)cc1
InChIInChI=1S/C25H22N2O3.C24H21N3O3.C23H23N3O2.C22H21N3O3.C22H21N3O2/c1-16-4-8-19(9-5-16)25(12-14-30-22-3-2-13-26-23(22)25)27-24(29)18-6-10-20-17(15-18)7-11-21(20)28;1-15-5-8-18(9-6-15)24(11-13-29-20-4-3-12-25-22(20)24)27-23(28)17-7-10-19-21(14-17)30-16(2)26-19;1-16-6-8-19(9-7-16)23(11-14-28-20-5-4-12-24-21(20)23)25-22(27)18-10-13-26(3)17(2)15-18;1-15-5-8-17(9-6-15)22(11-13-28-18-4-3-12-23-20(18)22)24-21(27)16-7-10-19(26)25(2)14-16;1-15-5-7-18(8-6-15)22(10-13-27-19-4-3-11-24-20(19)22)25-21(26)17-9-12-23-16(2)14-17/h2-6,8-10,13,15H,7,11-12,14H2,1H3,(H,27,29);3-10,12,14,26H,2,11,13H2,1H3,(H,27,28);4-10,12-13,15H,2,11,14H2,1,3H3,(H,25,27);3-10,12,14H,11,13H2,1-2H3,(H,24,27);3-9,11-12,14,23H,2,10,13H2,1H3,(H,25,26)
InChIKeyJQIFAPDJAQCBHW-UHFFFAOYSA-N
XLogP17.16
TPSA331.70 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001906.22
LogP ≤ 517.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide?
The IUPAC name of 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide (CID 158992434) is 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide.
What is the SMILES notation for 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide?
The canonical SMILES for 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide is C=C1C=C(C(=O)NC2(c3ccc(C)cc3)CCOc3cccnc32)C=CN1.C=C1C=C(C(=O)NC2(c3ccc(C)cc3)CCOc3cccnc32)C=CN1C.C=C1Nc2ccc(C(=O)NC3(c4ccc(C)cc4)CCOc4cccnc43)cc2O1.Cc1ccc(C2(NC(=O)c3ccc(=O)n(C)c3)CCOc3cccnc32)cc1.Cc1ccc(C2(NC(=O)c3ccc4c(c3)CCC4=O)CCOc3cccnc32)cc1.
What is the InChIKey of 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide?
The InChIKey is JQIFAPDJAQCBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3.C24H21N3O3.C23H23N3O2.C22H21N3O3.C22H21N3O2/c1-16-4-8-19(9-5-16)25(12-14-30-22-3-2-13-26-23(22)25)27-24(29)18-6-10-20-17(15-18)7-11-21(20)28;1-15-5-8-18(9-6-15)24(11-13-29-20-4-3-12-25-22(20)24)27-23(28)17-7-10-19-21(14-17)30-16(2)26-19;1-16-6-8-19(9-7-16)23(11-14-28-20-5-4-12-24-21(20)23)25-22(27)18-10-13-26(3)17(2)15-18;1-15-5-8-17(9-6-15)22(11-13-28-18-4-3-12-23-20(18)22)24-21(27)16-7-10-19(26)25(2)14-16;1-15-5-7-18(8-6-15)22(10-13-27-19-4-3-11-24-20(19)22)25-21(26)17-9-12-23-16(2)14-17/h2-6,8-10,13,15H,7,11-12,14H2,1H3,(H,27,29);3-10,12,14,26H,2,11,13H2,1H3,(H,27,28);4-10,12-13,15H,2,11,14H2,1,3H3,(H,25,27);3-10,12,14H,11,13H2,1-2H3,(H,24,27);3-9,11-12,14,23H,2,10,13H2,1H3,(H,25,26).
What are the key properties of 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide?
2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide has a molecular weight of 1906.22 g/mol, XLogP of 17.16, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-1,3-benzoxazole-6-carboxamide;2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-4-carboxamide;1-methyl-2-methylidene-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-4-carboxamide;1-methyl-N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6-oxopyridine-3-carboxamide;N-[4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-oxo-2,3-dihydroindene-5-carboxamide is sourced from PubChem (CID 158992434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).