2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide

C13H13ClN4O — CID 62172641

IUPAC2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)c2ccccn2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-15-11-8-9(7-10(14)17-11)13(19)18(2)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,15,17)
InChIKeyAQERWZXCDMVVSU-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide

2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide (PubChem CID 62172641) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
PubChem CID62172641
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)c2ccccn2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-15-11-8-9(7-10(14)17-11)13(19)18(2)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,15,17)
InChIKeyAQERWZXCDMVVSU-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide (CID 62172641) is 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide is CNc1cc(C(=O)N(C)c2ccccn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide?
The InChIKey is AQERWZXCDMVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-15-11-8-9(7-10(14)17-11)13(19)18(2)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 62172641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).