N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

C24H29N3O2 — CID 42852094

IUPACN-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C24H29N3O2/c1-17-8-11-21(24(29)26(2)16-18-6-4-3-5-7-18)22(25-17)19-12-14-27(15-13-19)23(28)20-9-10-20/h3-8,11,19-20H,9-10,12-16H2,1-2H3
InChIKeyCSJIWYVLSFJBOF-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.78
Rot. Bonds5

About N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 42852094) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID42852094
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C24H29N3O2/c1-17-8-11-21(24(29)26(2)16-18-6-4-3-5-7-18)22(25-17)19-12-14-27(15-13-19)23(28)20-9-10-20/h3-8,11,19-20H,9-10,12-16H2,1-2H3
InChIKeyCSJIWYVLSFJBOF-UHFFFAOYSA-N
XLogP3.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 46068380
[(1S)-2-[4-[3-[furan-2-ylmethyl(methyl)carbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74225390
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
N-benzyl-N-[2-(dimethylamino)ethyl]-6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 42867505
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107
N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 3549936

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (CID 42852094) is N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)C3CC3)CC2)n1.
What is the InChIKey of N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is CSJIWYVLSFJBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-8-11-21(24(29)26(2)16-18-6-4-3-5-7-18)22(25-17)19-12-14-27(15-13-19)23(28)20-9-10-20/h3-8,11,19-20H,9-10,12-16H2,1-2H3.
What are the key properties of N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 42852094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).