5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide

C12H10ClFN4O — CID 107595440

IUPAC5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccncc2F)cc1Cl
InChIInChI=1S/C12H10ClFN4O/c1-15-11-8(13)4-7(5-17-11)12(19)18-10-2-3-16-6-9(10)14/h2-6H,1H3,(H,15,17)(H,16,18,19)
InChIKeyOCAJURSAKBHRRB-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.56
Rot. Bonds3

About 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 107595440) has the molecular formula C12H10ClFN4O and a molecular weight of 280.69 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID107595440
Molecular FormulaC12H10ClFN4O
Molecular Weight280.69 g/mol
Exact Mass280.05
IUPAC Name5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccncc2F)cc1Cl
InChIInChI=1S/C12H10ClFN4O/c1-15-11-8(13)4-7(5-17-11)12(19)18-10-2-3-16-6-9(10)14/h2-6H,1H3,(H,15,17)(H,16,18,19)
InChIKeyOCAJURSAKBHRRB-UHFFFAOYSA-N
XLogP2.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
5-chloro-N-(4-chloro-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62176655
5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 62172922
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 107593909
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
5-chloro-N-(4-fluoro-2-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62175694
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172629
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166490
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide (CID 107595440) is 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)Nc2ccncc2F)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is OCAJURSAKBHRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O/c1-15-11-8(13)4-7(5-17-11)12(19)18-10-2-3-16-6-9(10)14/h2-6H,1H3,(H,15,17)(H,16,18,19).
What are the key properties of 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107595440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).