6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide

C24H31N3O2 — CID 46068495

IUPAC6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C24H31N3O2/c1-16(2)24(29)27-13-11-19(12-14-27)22-21(10-9-18(4)26-22)23(28)25-15-20-8-6-5-7-17(20)3/h5-10,16,19H,11-15H2,1-4H3,(H,25,28)
InChIKeyWRZOCHYCPWGUCC-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.99
Rot. Bonds5

About 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide

6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46068495) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46068495
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C24H31N3O2/c1-16(2)24(29)27-13-11-19(12-14-27)22-21(10-9-18(4)26-22)23(28)25-15-20-8-6-5-7-17(20)3/h5-10,16,19H,11-15H2,1-4H3,(H,25,28)
InChIKeyWRZOCHYCPWGUCC-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42868204
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 3434029
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
ethyl 2-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidine-1-carbothioyl]amino]propanoate
CID 3700653
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 46068495) is 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)C(C)C)CC2)n1.
What is the InChIKey of 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is WRZOCHYCPWGUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16(2)24(29)27-13-11-19(12-14-27)22-21(10-9-18(4)26-22)23(28)25-15-20-8-6-5-7-17(20)3/h5-10,16,19H,11-15H2,1-4H3,(H,25,28).
What are the key properties of 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46068495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).