N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide

C21H23N5O — CID 68512967

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
SMILESCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1nncn1C1CCCC1
InChIInChI=1S/C21H23N5O/c1-15(20-25-23-14-26(20)19-4-2-3-5-19)24-21(27)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h6-15,19H,2-5H2,1H3,(H,24,27)
InChIKeyBTAQORYRBPTSNM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.95
Rot. Bonds5

About N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 68512967) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
PubChem CID68512967
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
SMILESCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1nncn1C1CCCC1
InChIInChI=1S/C21H23N5O/c1-15(20-25-23-14-26(20)19-4-2-3-5-19)24-21(27)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h6-15,19H,2-5H2,1H3,(H,24,27)
InChIKeyBTAQORYRBPTSNM-UHFFFAOYSA-N
XLogP3.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 124843003
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 118777279
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114
3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide (CID 68512967) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide is CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1nncn1C1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is BTAQORYRBPTSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15(20-25-23-14-26(20)19-4-2-3-5-19)24-21(27)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h6-15,19H,2-5H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).