N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide

C14H17N5O — CID 121195905

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)C1CCCC1
InChIInChI=1S/C14H17N5O/c20-14(11-3-1-2-4-11)16-9-12-10-19(18-17-12)13-5-7-15-8-6-13/h5-8,10-11H,1-4,9H2,(H,16,20)
InChIKeyCRKWQOFSRFCNMP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.47
Rot. Bonds4

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 121195905) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID121195905
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)C1CCCC1
InChIInChI=1S/C14H17N5O/c20-14(11-3-1-2-4-11)16-9-12-10-19(18-17-12)13-5-7-15-8-6-13/h5-8,10-11H,1-4,9H2,(H,16,20)
InChIKeyCRKWQOFSRFCNMP-UHFFFAOYSA-N
XLogP1.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
CID 121195903
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
oxan-2-ylmethyl N-[(1-pyridin-4-yltriazol-4-yl)methyl]carbamate
CID 121196023
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide (CID 121195905) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide is O=C(NCc1cn(-c2ccncc2)nn1)C1CCCC1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is CRKWQOFSRFCNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(11-3-1-2-4-11)16-9-12-10-19(18-17-12)13-5-7-15-8-6-13/h5-8,10-11H,1-4,9H2,(H,16,20).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 121195905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).