3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide

C17H23N5O — CID 16672583

IUPAC3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCC1CCCC1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-12(19-15(23)7-6-13-4-2-3-5-13)16-20-17(22-21-16)14-8-10-18-11-9-14/h8-13H,2-7H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyQQACBPXKUDBRLU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds6

About 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 16672583) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID16672583
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCC1CCCC1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-12(19-15(23)7-6-13-4-2-3-5-13)16-20-17(22-21-16)14-8-10-18-11-9-14/h8-13H,2-7H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyQQACBPXKUDBRLU-UHFFFAOYSA-N
XLogP3.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 51493984
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 16674422
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 16674426
1-benzyl-3-[(1S)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 7451545
2-chloro-N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 7451552
N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-phenylpropanamide
CID 7451536
2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
CID 46963211
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 120566582
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclobutylpropanamide;hydrochloride
CID 120566270

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 16672583) is 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide is CC(NC(=O)CCC1CCCC1)c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is QQACBPXKUDBRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(19-15(23)7-6-13-4-2-3-5-13)16-20-17(22-21-16)14-8-10-18-11-9-14/h8-13H,2-7H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 16672583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).