2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide

C13H12ClFN4O — CID 107595523

IUPAC2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccncc2F)cc(Cl)n1
InChIInChI=1S/C13H12ClFN4O/c1-2-17-12-6-8(5-11(14)19-12)13(20)18-10-3-4-16-7-9(10)15/h3-7H,2H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyWGXYJDYAVSDBCL-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide (PubChem CID 107595523) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
PubChem CID107595523
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccncc2F)cc(Cl)n1
InChIInChI=1S/C13H12ClFN4O/c1-2-17-12-6-8(5-11(14)19-12)13(20)18-10-3-4-16-7-9(10)15/h3-7H,2H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyWGXYJDYAVSDBCL-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.95
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-(ethylamino)-N-(3-fluoro-4-pyridinyl)-6-methylpyridine-4-carboxamide
CID 107595487
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
CID 55047218
2-chloro-6-(ethylamino)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 62165501
N-(3-fluoro-4-pyridinyl)-2-(methylamino)-6-propylpyridine-4-carboxamide
CID 107595546
N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62185754
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide (CID 107595523) is 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2ccncc2F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
The InChIKey is WGXYJDYAVSDBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-2-17-12-6-8(5-11(14)19-12)13(20)18-10-3-4-16-7-9(10)15/h3-7H,2H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 107595523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).