5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide

C13H15ClN6O — CID 71978493

IUPAC5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCCC(c3ncn[nH]3)C2)c(Cl)c1
InChIInChI=1S/C13H15ClN6O/c14-10-4-9(11(15)21)5-16-13(10)20-3-1-2-8(6-20)12-17-7-18-19-12/h4-5,7-8H,1-3,6H2,(H2,15,21)(H,17,18,19)
InChIKeyFCBYJYHSKMLKFO-UHFFFAOYSA-N
MW306.76 g/mol
LogP1.34
Rot. Bonds3

About 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 71978493) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID71978493
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCCC(c3ncn[nH]3)C2)c(Cl)c1
InChIInChI=1S/C13H15ClN6O/c14-10-4-9(11(15)21)5-16-13(10)20-3-1-2-8(6-20)12-17-7-18-19-12/h4-5,7-8H,1-3,6H2,(H2,15,21)(H,17,18,19)
InChIKeyFCBYJYHSKMLKFO-UHFFFAOYSA-N
XLogP1.34
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 71978493) is 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnc(N2CCCC(c3ncn[nH]3)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is FCBYJYHSKMLKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c14-10-4-9(11(15)21)5-16-13(10)20-3-1-2-8(6-20)12-17-7-18-19-12/h4-5,7-8H,1-3,6H2,(H2,15,21)(H,17,18,19).
What are the key properties of 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 306.76 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71978493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).