4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide

C21H25N3O2 — CID 59607069

IUPAC4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
SMILESCC(=O)N(Cc1ccc(C(=O)N(C)c2cccnc2)cc1)C1CCCC1
InChIInChI=1S/C21H25N3O2/c1-16(25)24(19-6-3-4-7-19)15-17-9-11-18(12-10-17)21(26)23(2)20-8-5-13-22-14-20/h5,8-14,19H,3-4,6-7,15H2,1-2H3
InChIKeyRAIYRXMCCOAKGM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.65
Rot. Bonds5

About 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide

4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide (PubChem CID 59607069) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
PubChem CID59607069
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
SMILESCC(=O)N(Cc1ccc(C(=O)N(C)c2cccnc2)cc1)C1CCCC1
InChIInChI=1S/C21H25N3O2/c1-16(25)24(19-6-3-4-7-19)15-17-9-11-18(12-10-17)21(26)23(2)20-8-5-13-22-14-20/h5,8-14,19H,3-4,6-7,15H2,1-2H3
InChIKeyRAIYRXMCCOAKGM-UHFFFAOYSA-N
XLogP3.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
CID 20982029
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide
CID 59607196
4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 59607199
N-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-4-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 139943938
N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 46969467
N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998985
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
methyl 1-[[4-[methyl(pyridin-3-yl)carbamoyl]phenyl]methyl]-1,2,4-triazole-3-carboxylate
CID 59607075

Frequently Asked Questions

What is the IUPAC name of 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide (CID 59607069) is 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide is CC(=O)N(Cc1ccc(C(=O)N(C)c2cccnc2)cc1)C1CCCC1.
What is the InChIKey of 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is RAIYRXMCCOAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(25)24(19-6-3-4-7-19)15-17-9-11-18(12-10-17)21(26)23(2)20-8-5-13-22-14-20/h5,8-14,19H,3-4,6-7,15H2,1-2H3.
What are the key properties of 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide?
4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 59607069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).