3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide

C15H15ClFN3O — CID 62179071

IUPAC3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(NC)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H15ClFN3O/c1-3-20(11-6-4-5-10(17)9-11)15(21)14-12(16)7-8-13(18-2)19-14/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCSAZSFDXKZVJSJ-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.58
Rot. Bonds4

About 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62179071) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID62179071
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(NC)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H15ClFN3O/c1-3-20(11-6-4-5-10(17)9-11)15(21)14-12(16)7-8-13(18-2)19-14/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCSAZSFDXKZVJSJ-UHFFFAOYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 60659860
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 107736178
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115865
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
3-chloro-N-methyl-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55046771
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
CID 112817546
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide (CID 62179071) is 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide is CCN(C(=O)c1nc(NC)ccc1Cl)c1cccc(F)c1.
What is the InChIKey of 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is CSAZSFDXKZVJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-3-20(11-6-4-5-10(17)9-11)15(21)14-12(16)7-8-13(18-2)19-14/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).