N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide

C23H29N3O2 — CID 133316798

IUPACN-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-16(2)15-17-6-8-18(9-7-17)21(27)19-10-13-26(14-11-19)22-20(23(28)24-3)5-4-12-25-22/h4-9,12,16,19H,10-11,13-15H2,1-3H3,(H,24,28)
InChIKeyIZYUJNWSLUIFHB-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.74
Rot. Bonds6

About N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide

N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133316798) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133316798
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-16(2)15-17-6-8-18(9-7-17)21(27)19-10-13-26(14-11-19)22-20(23(28)24-3)5-4-12-25-22/h4-9,12,16,19H,10-11,13-15H2,1-3H3,(H,24,28)
InChIKeyIZYUJNWSLUIFHB-UHFFFAOYSA-N
XLogP3.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
[1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55841224
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 60500680
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide (CID 133316798) is N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IZYUJNWSLUIFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)15-17-6-8-18(9-7-17)21(27)19-10-13-26(14-11-19)22-20(23(28)24-3)5-4-12-25-22/h4-9,12,16,19H,10-11,13-15H2,1-3H3,(H,24,28).
What are the key properties of N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide?
N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133316798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).