2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide

C14H16ClN5O — CID 114387285

IUPAC2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2nnc(C)c(C)n2)cc(Cl)n1
InChIInChI=1S/C14H16ClN5O/c1-4-5-11-6-10(7-12(15)17-11)13(21)18-14-16-8(2)9(3)19-20-14/h6-7H,4-5H2,1-3H3,(H,16,18,20,21)
InChIKeyKOWSDKBAGDHARD-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.74
Rot. Bonds4

About 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide

2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide (PubChem CID 114387285) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
PubChem CID114387285
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2nnc(C)c(C)n2)cc(Cl)n1
InChIInChI=1S/C14H16ClN5O/c1-4-5-11-6-10(7-12(15)17-11)13(21)18-14-16-8(2)9(3)19-20-14/h6-7H,4-5H2,1-3H3,(H,16,18,20,21)
InChIKeyKOWSDKBAGDHARD-UHFFFAOYSA-N
XLogP2.74
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
CID 114932118
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 114389401
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
CID 114389344
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide (CID 114387285) is 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)Nc2nnc(C)c(C)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide?
The InChIKey is KOWSDKBAGDHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-4-5-11-6-10(7-12(15)17-11)13(21)18-14-16-8(2)9(3)19-20-14/h6-7H,4-5H2,1-3H3,(H,16,18,20,21).
What are the key properties of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 114387285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).