5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide

C15H16ClN5O — CID 86795852

IUPAC5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C15H16ClN5O/c16-10-3-6-12(17-7-10)15(22)18-8-13-19-20-14(9-1-2-9)21(13)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,18,22)
InChIKeyXTSFGILWKNTSSH-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.47
Rot. Bonds5

About 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide

5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 86795852) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID86795852
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C15H16ClN5O/c16-10-3-6-12(17-7-10)15(22)18-8-13-19-20-14(9-1-2-9)21(13)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,18,22)
InChIKeyXTSFGILWKNTSSH-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (CID 86795852) is 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is XTSFGILWKNTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-10-3-6-12(17-7-10)15(22)18-8-13-19-20-14(9-1-2-9)21(13)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,18,22).
What are the key properties of 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86795852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).