5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide

C12H11ClN4O — CID 114046022

IUPAC5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cnc2Cl)cn1
InChIInChI=1S/C12H11ClN4O/c1-7-2-3-9(6-15-7)17-12(18)10-4-8(14)5-16-11(10)13/h2-6H,14H2,1H3,(H,17,18)
InChIKeyIMLSFOZAPHQJSV-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.27
Rot. Bonds2

About 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide

5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 114046022) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID114046022
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cnc2Cl)cn1
InChIInChI=1S/C12H11ClN4O/c1-7-2-3-9(6-15-7)17-12(18)10-4-8(14)5-16-11(10)13/h2-6H,14H2,1H3,(H,17,18)
InChIKeyIMLSFOZAPHQJSV-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.27
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-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane
CID 144702320
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide
CID 138652624
5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 63332915
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
CID 107571106
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 114046022) is 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(N)cnc2Cl)cn1.
What is the InChIKey of 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is IMLSFOZAPHQJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-2-3-9(6-15-7)17-12(18)10-4-8(14)5-16-11(10)13/h2-6H,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide?
5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 114046022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).