N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide

C16H21N5O2 — CID 121078990

IUPACN-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESCn1c(-c2cccnc2)nn(CCNC(=O)C2CCCC2)c1=O
InChIInChI=1S/C16H21N5O2/c1-20-14(13-7-4-8-17-11-13)19-21(16(20)23)10-9-18-15(22)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,22)
InChIKeyZXEZHXQRTFNZQE-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 121078990) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID121078990
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESCn1c(-c2cccnc2)nn(CCNC(=O)C2CCCC2)c1=O
InChIInChI=1S/C16H21N5O2/c1-20-14(13-7-4-8-17-11-13)19-21(16(20)23)10-9-18-15(22)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,22)
InChIKeyZXEZHXQRTFNZQE-UHFFFAOYSA-N
XLogP0.95
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
CID 121079010
N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]cyclopentanecarboxamide
CID 121078469
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121078971
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121078976
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078383
2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
CID 121079039
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121078344
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121078336
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 121079027
2-(difluoromethylsulfanyl)-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079035
2-chloro-4-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079000
N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
CID 92596753

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide (CID 121078990) is N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide is Cn1c(-c2cccnc2)nn(CCNC(=O)C2CCCC2)c1=O.
What is the InChIKey of N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is ZXEZHXQRTFNZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-14(13-7-4-8-17-11-13)19-21(16(20)23)10-9-18-15(22)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,22).
What are the key properties of N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 121078990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).