2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

C12H14ClN5O — CID 113379796

IUPAC2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2ncn[nH]2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-2-3-9-4-8(5-10(13)17-9)12(19)14-6-11-15-7-16-18-11/h4-5,7H,2-3,6H2,1H3,(H,14,19)(H,15,16,18)
InChIKeyCZGYYEXPBAOYBZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.74
Rot. Bonds5

About 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 113379796) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID113379796
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2ncn[nH]2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-2-3-9-4-8(5-10(13)17-9)12(19)14-6-11-15-7-16-18-11/h4-5,7H,2-3,6H2,1H3,(H,14,19)(H,15,16,18)
InChIKeyCZGYYEXPBAOYBZ-UHFFFAOYSA-N
XLogP1.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106281903
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113277765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (CID 113379796) is 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is CCCc1cc(C(=O)NCc2ncn[nH]2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CZGYYEXPBAOYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-3-9-4-8(5-10(13)17-9)12(19)14-6-11-15-7-16-18-11/h4-5,7H,2-3,6H2,1H3,(H,14,19)(H,15,16,18).
What are the key properties of 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113379796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).