N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide

C61H54N10O5 — CID 157211721

IUPACN-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1.Cc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1.O=C(Nc1ccc(-c2cccc(OC3CC3)c2)cn1)c1cccnc1
InChIInChI=1S/C21H19N3O.C20H18N4O2.C20H17N3O2/c1-14-5-6-19(13-22-14)21(25)24-20-10-9-18(12-23-20)17-4-2-3-16(11-17)15-7-8-15;1-13-21-11-16(12-22-13)20(25)24-19-8-5-15(10-23-19)14-3-2-4-18(9-14)26-17-6-7-17;24-20(16-4-2-10-21-12-16)23-19-9-6-15(13-22-19)14-3-1-5-18(11-14)25-17-7-8-17/h2-6,9-13,15H,7-8H2,1H3,(H,23,24,25);2-5,8-12,17H,6-7H2,1H3,(H,23,24,25);1-6,9-13,17H,7-8H2,(H,22,23,24)
InChIKeyARYRJURITBNMAP-UHFFFAOYSA-N
MW1007.17 g/mol
LogP12.16
Rot. Bonds14

About N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide

N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide (PubChem CID 157211721) has the molecular formula C61H54N10O5 and a molecular weight of 1007.17 g/mol. Its IUPAC name is N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide
PubChem CID157211721
Molecular FormulaC61H54N10O5
Molecular Weight1007.17 g/mol
Exact Mass1006.43
IUPAC NameN-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1.Cc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1.O=C(Nc1ccc(-c2cccc(OC3CC3)c2)cn1)c1cccnc1
InChIInChI=1S/C21H19N3O.C20H18N4O2.C20H17N3O2/c1-14-5-6-19(13-22-14)21(25)24-20-10-9-18(12-23-20)17-4-2-3-16(11-17)15-7-8-15;1-13-21-11-16(12-22-13)20(25)24-19-8-5-15(10-23-19)14-3-2-4-18(9-14)26-17-6-7-17;24-20(16-4-2-10-21-12-16)23-19-9-6-15(13-22-19)14-3-1-5-18(11-14)25-17-7-8-17/h2-6,9-13,15H,7-8H2,1H3,(H,23,24,25);2-5,8-12,17H,6-7H2,1H3,(H,23,24,25);1-6,9-13,17H,7-8H2,(H,22,23,24)
InChIKeyARYRJURITBNMAP-UHFFFAOYSA-N
XLogP12.16
TPSA195.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.17
LogP ≤ 512.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide (CID 157211721) is N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1.Cc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1.O=C(Nc1ccc(-c2cccc(OC3CC3)c2)cn1)c1cccnc1.
What is the InChIKey of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ARYRJURITBNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O.C20H18N4O2.C20H17N3O2/c1-14-5-6-19(13-22-14)21(25)24-20-10-9-18(12-23-20)17-4-2-3-16(11-17)15-7-8-15;1-13-21-11-16(12-22-13)20(25)24-19-8-5-15(10-23-19)14-3-2-4-18(9-14)26-17-6-7-17;24-20(16-4-2-10-21-12-16)23-19-9-6-15(13-22-19)14-3-1-5-18(11-14)25-17-7-8-17/h2-6,9-13,15H,7-8H2,1H3,(H,23,24,25);2-5,8-12,17H,6-7H2,1H3,(H,23,24,25);1-6,9-13,17H,7-8H2,(H,22,23,24).
What are the key properties of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide?
N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide has a molecular weight of 1007.17 g/mol, XLogP of 12.16, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 157211721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).