N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide

C13H11ClFN3O — CID 105069465

IUPACN-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11ClFN3O/c1-16-12-7-17-5-4-9(12)13(19)18-8-2-3-10(14)11(15)6-8/h2-7,16H,1H3,(H,18,19)
InChIKeyRXSQOUWBUWDHOK-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.17
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide

N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105069465) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
PubChem CID105069465
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11ClFN3O/c1-16-12-7-17-5-4-9(12)13(19)18-8-2-3-10(14)11(15)6-8/h2-7,16H,1H3,(H,18,19)
InChIKeyRXSQOUWBUWDHOK-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068601
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068321
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
N-(2,6-dichlorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070470
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773
N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide
CID 105068002
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide (CID 105069465) is N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is RXSQOUWBUWDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-16-12-7-17-5-4-9(12)13(19)18-8-2-3-10(14)11(15)6-8/h2-7,16H,1H3,(H,18,19).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide?
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).