5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide

C14H13ClFN3O — CID 62167616

IUPAC5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFN3O/c1-17-13-12(15)6-10(8-18-13)14(20)19-7-9-2-4-11(16)5-3-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyPHRWPLXTYIZYAP-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62167616) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID62167616
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFN3O/c1-17-13-12(15)6-10(8-18-13)14(20)19-7-9-2-4-11(16)5-3-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyPHRWPLXTYIZYAP-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62990773
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62269659
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide (CID 62167616) is 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is PHRWPLXTYIZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-13-12(15)6-10(8-18-13)14(20)19-7-9-2-4-11(16)5-3-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).