3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

C10H10ClN5O — CID 66484515

IUPAC3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H10ClN5O/c1-16-6-14-15-9(16)5-13-10(17)7-2-3-12-4-8(7)11/h2-4,6H,5H2,1H3,(H,13,17)
InChIKeyCYBALHATPZPMPR-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.79
Rot. Bonds3

About 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 66484515) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID66484515
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H10ClN5O/c1-16-6-14-15-9(16)5-13-10(17)7-2-3-12-4-8(7)11/h2-4,6H,5H2,1H3,(H,13,17)
InChIKeyCYBALHATPZPMPR-UHFFFAOYSA-N
XLogP0.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 105068860
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 103893192
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 115931067
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (CID 66484515) is 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is Cn1cnnc1CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is CYBALHATPZPMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-16-6-14-15-9(16)5-13-10(17)7-2-3-12-4-8(7)11/h2-4,6H,5H2,1H3,(H,13,17).
What are the key properties of 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).