2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide

C27H30N4O3 — CID 46360796

IUPAC2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2)c1
InChIInChI=1S/C27H30N4O3/c1-18-7-8-23(15-19(18)2)30-26(32)20-10-13-31(14-11-20)25-16-21(9-12-28-25)27(33)29-22-5-4-6-24(17-22)34-3/h4-9,12,15-17,20H,10-11,13-14H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyLZYNTMCQLQNGNG-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.81
Rot. Bonds6

About 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide

2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 46360796) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID46360796
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2)c1
InChIInChI=1S/C27H30N4O3/c1-18-7-8-23(15-19(18)2)30-26(32)20-10-13-31(14-11-20)25-16-21(9-12-28-25)27(33)29-22-5-4-6-24(17-22)34-3/h4-9,12,15-17,20H,10-11,13-14H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyLZYNTMCQLQNGNG-UHFFFAOYSA-N
XLogP4.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
2-[4-(cyclopentylcarbamoyl)piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 20867008
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875982
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 46360822
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 46360796) is 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2)c1.
What is the InChIKey of 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is LZYNTMCQLQNGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18-7-8-23(15-19(18)2)30-26(32)20-10-13-31(14-11-20)25-16-21(9-12-28-25)27(33)29-22-5-4-6-24(17-22)34-3/h4-9,12,15-17,20H,10-11,13-14H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46360796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).