2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C93H99N15O3 — CID 158082658

IUPAC2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)ccn3)n2)c1.Cc1cccc(-c2ccnc(Cc3cncc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)c3)n2)c1.Cc1cnc(Cc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/3C31H33N5O/c1-22-12-16-36(17-13-22)21-24-6-8-27(9-7-24)34-31(37)26-10-14-32-28(19-26)20-30-33-15-11-29(35-30)25-5-3-4-23(2)18-25;1-22-11-14-36(15-12-22)21-24-6-8-28(9-7-24)34-31(37)27-17-25(19-32-20-27)18-30-33-13-10-29(35-30)26-5-3-4-23(2)16-26;1-22-12-14-36(15-13-22)21-24-8-10-28(11-9-24)34-31(37)27-16-25(19-32-20-27)17-29-33-18-23(2)30(35-29)26-6-4-3-5-7-26/h3-11,14-15,18-19,22H,12-13,16-17,20-21H2,1-2H3,(H,34,37);3-10,13,16-17,19-20,22H,11-12,14-15,18,21H2,1-2H3,(H,34,37);3-11,16,18-20,22H,12-15,17,21H2,1-2H3,(H,34,37)
InChIKeyFNDIPHQOFRLXJY-UHFFFAOYSA-N
MW1474.92 g/mol
LogP17.77
Rot. Bonds21

About 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide

2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 158082658) has the molecular formula C93H99N15O3 and a molecular weight of 1474.92 g/mol. Its IUPAC name is 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID158082658
Molecular FormulaC93H99N15O3
Molecular Weight1474.92 g/mol
Exact Mass1473.81
IUPAC Name2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)ccn3)n2)c1.Cc1cccc(-c2ccnc(Cc3cncc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)c3)n2)c1.Cc1cnc(Cc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/3C31H33N5O/c1-22-12-16-36(17-13-22)21-24-6-8-27(9-7-24)34-31(37)26-10-14-32-28(19-26)20-30-33-15-11-29(35-30)25-5-3-4-23(2)18-25;1-22-11-14-36(15-12-22)21-24-6-8-28(9-7-24)34-31(37)27-17-25(19-32-20-27)18-30-33-13-10-29(35-30)26-5-3-4-23(2)16-26;1-22-12-14-36(15-13-22)21-24-8-10-28(11-9-24)34-31(37)27-16-25(19-32-20-27)17-29-33-18-23(2)30(35-29)26-6-4-3-5-7-26/h3-11,14-15,18-19,22H,12-13,16-17,20-21H2,1-2H3,(H,34,37);3-10,13,16-17,19-20,22H,11-12,14-15,18,21H2,1-2H3,(H,34,37);3-11,16,18-20,22H,12-15,17,21H2,1-2H3,(H,34,37)
InChIKeyFNDIPHQOFRLXJY-UHFFFAOYSA-N
XLogP17.77
TPSA213.03 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.92
LogP ≤ 517.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 158082658) is 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)ccn3)n2)c1.Cc1cccc(-c2ccnc(Cc3cncc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)c3)n2)c1.Cc1cnc(Cc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1.
What is the InChIKey of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is FNDIPHQOFRLXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H33N5O/c1-22-12-16-36(17-13-22)21-24-6-8-27(9-7-24)34-31(37)26-10-14-32-28(19-26)20-30-33-15-11-29(35-30)25-5-3-4-23(2)18-25;1-22-11-14-36(15-12-22)21-24-6-8-28(9-7-24)34-31(37)27-17-25(19-32-20-27)18-30-33-13-10-29(35-30)26-5-3-4-23(2)16-26;1-22-12-14-36(15-13-22)21-24-8-10-28(11-9-24)34-31(37)27-16-25(19-32-20-27)17-29-33-18-23(2)30(35-29)26-6-4-3-5-7-26/h3-11,14-15,18-19,22H,12-13,16-17,20-21H2,1-2H3,(H,34,37);3-10,13,16-17,19-20,22H,11-12,14-15,18,21H2,1-2H3,(H,34,37);3-11,16,18-20,22H,12-15,17,21H2,1-2H3,(H,34,37).
What are the key properties of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 1474.92 g/mol, XLogP of 17.77, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158082658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).