3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide

C49H54N8O4 — CID 159501246

IUPAC3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCN2)c2ccccc12.Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCN2C)c2ccccc12
InChIInChI=1S/C25H28N4O2.C24H26N4O2/c1-17-12-13-21(20-10-4-3-9-19(17)20)24(30)28-22-11-7-14-26-23(22)25(31)27-16-18-8-5-6-15-29(18)2;1-16-11-12-20(19-9-3-2-8-18(16)19)23(29)28-21-10-6-14-26-22(21)24(30)27-15-17-7-4-5-13-25-17/h3-4,7,9-14,18H,5-6,8,15-16H2,1-2H3,(H,27,31)(H,28,30);2-3,6,8-12,14,17,25H,4-5,7,13,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyLZKGWPBRSKTISQ-UHFFFAOYSA-N
MW819.02 g/mol
LogP7.68
Rot. Bonds10

About 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide

3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 159501246) has the molecular formula C49H54N8O4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID159501246
Molecular FormulaC49H54N8O4
Molecular Weight819.02 g/mol
Exact Mass818.43
IUPAC Name3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCN2)c2ccccc12.Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCN2C)c2ccccc12
InChIInChI=1S/C25H28N4O2.C24H26N4O2/c1-17-12-13-21(20-10-4-3-9-19(17)20)24(30)28-22-11-7-14-26-23(22)25(31)27-16-18-8-5-6-15-29(18)2;1-16-11-12-20(19-9-3-2-8-18(16)19)23(29)28-21-10-6-14-26-22(21)24(30)27-15-17-7-4-5-13-25-17/h3-4,7,9-14,18H,5-6,8,15-16H2,1-2H3,(H,27,31)(H,28,30);2-3,6,8-12,14,17,25H,4-5,7,13,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyLZKGWPBRSKTISQ-UHFFFAOYSA-N
XLogP7.68
TPSA157.45 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 57.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide (CID 159501246) is 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCN2)c2ccccc12.Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCN2C)c2ccccc12.
What is the InChIKey of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is LZKGWPBRSKTISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C24H26N4O2/c1-17-12-13-21(20-10-4-3-9-19(17)20)24(30)28-22-11-7-14-26-23(22)25(31)27-16-18-8-5-6-15-29(18)2;1-16-11-12-20(19-9-3-2-8-18(16)19)23(29)28-21-10-6-14-26-22(21)24(30)27-15-17-7-4-5-13-25-17/h3-4,7,9-14,18H,5-6,8,15-16H2,1-2H3,(H,27,31)(H,28,30);2-3,6,8-12,14,17,25H,4-5,7,13,15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide?
3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 819.02 g/mol, XLogP of 7.68, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159501246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).