2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide

C15H16ClN3O — CID 20509436

IUPAC2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCC(C)Cc1nc(Cl)c(C(N)=O)cc1-c1ccncc1
InChIInChI=1S/C15H16ClN3O/c1-9(2)7-13-11(10-3-5-18-6-4-10)8-12(15(17)20)14(16)19-13/h3-6,8-9H,7H2,1-2H3,(H2,17,20)
InChIKeyKECATCQUXJVLGJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide

2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 20509436) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide
PubChem CID20509436
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCC(C)Cc1nc(Cl)c(C(N)=O)cc1-c1ccncc1
InChIInChI=1S/C15H16ClN3O/c1-9(2)7-13-11(10-3-5-18-6-4-10)8-12(15(17)20)14(16)19-13/h3-6,8-9H,7H2,1-2H3,(H2,17,20)
InChIKeyKECATCQUXJVLGJ-UHFFFAOYSA-N
XLogP3.09
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide (CID 20509436) is 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide is CC(C)Cc1nc(Cl)c(C(N)=O)cc1-c1ccncc1.
What is the InChIKey of 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is KECATCQUXJVLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9(2)7-13-11(10-3-5-18-6-4-10)8-12(15(17)20)14(16)19-13/h3-6,8-9H,7H2,1-2H3,(H2,17,20).
What are the key properties of 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide?
2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropyl)-5-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 20509436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).