3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide

C14H13ClFN3O2 — CID 62169174

IUPAC3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C14H13ClFN3O2/c1-17-12-6-4-9(15)13(19-12)14(20)18-8-3-5-11(21-2)10(16)7-8/h3-7H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMKELDAMFEQJMBL-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.18
Rot. Bonds4

About 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62169174) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID62169174
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C14H13ClFN3O2/c1-17-12-6-4-9(15)13(19-12)14(20)18-8-3-5-11(21-2)10(16)7-8/h3-7H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMKELDAMFEQJMBL-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
N-(5-bromo-2-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62177125
3-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62173294
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 82859108
3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62247567
3-chloro-N-(4-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62167458
3-chloro-N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62165789
5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625824
3-chloro-N-(2-fluoro-4-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62186223
3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62812279
5-chloro-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide (CID 62169174) is 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)Nc2ccc(OC)c(F)c2)n1.
What is the InChIKey of 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is MKELDAMFEQJMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-17-12-6-4-9(15)13(19-12)14(20)18-8-3-5-11(21-2)10(16)7-8/h3-7H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 309.73 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62169174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).