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

C21H25N3O2 — CID 123993453

IUPACN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
SMILESCCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3ccncc3)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-3-23-20(25)18-8-9-19(14-18)24(2)21(26)17-6-4-15(5-7-17)16-10-12-22-13-11-16/h4-7,10-13,18-19H,3,8-9,14H2,1-2H3,(H,23,25)
InChIKeyONFTXLATTOHBEK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.13
Rot. Bonds5

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

N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide (PubChem CID 123993453) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
PubChem CID123993453
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
SMILESCCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3ccncc3)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-3-23-20(25)18-8-9-19(14-18)24(2)21(26)17-6-4-15(5-7-17)16-10-12-22-13-11-16/h4-7,10-13,18-19H,3,8-9,14H2,1-2H3,(H,23,25)
InChIKeyONFTXLATTOHBEK-UHFFFAOYSA-N
XLogP3.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-(4-methylphenyl)benzamide
CID 123962446
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide
CID 123458357
4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 75202997
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide
CID 123877996
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[[(2S)-butan-2-yl]carbamoyl]cyclopentyl]-N-methylbenzamide
CID 75203997
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
CID 79122871
4-(1,3-benzoxazol-2-yl)-N-benzyl-N-[(1R,3S)-3-(ethylcarbamoyl)cyclopentyl]benzamide
CID 90156726
4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
CID 122576366
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
CID 75204237
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
CID 119070496
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide (CID 123993453) is N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide is CCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3ccncc3)cc2)C1.
What is the InChIKey of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide?
The InChIKey is ONFTXLATTOHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-23-20(25)18-8-9-19(14-18)24(2)21(26)17-6-4-15(5-7-17)16-10-12-22-13-11-16/h4-7,10-13,18-19H,3,8-9,14H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide?
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 123993453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).