5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide

C14H13ClFN3O — CID 114922058

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cccc(F)c2)c(Cl)cn1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-6-11(12(15)8-18-13)14(20)19-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAVCPHBCQKNGYPE-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114922058) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID114922058
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cccc(F)c2)c(Cl)cn1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-6-11(12(15)8-18-13)14(20)19-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAVCPHBCQKNGYPE-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-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162
N-[(3-fluorophenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236117
5-chloro-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46586010
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921935
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide (CID 114922058) is 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cccc(F)c2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is AVCPHBCQKNGYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-13-6-11(12(15)8-18-13)14(20)19-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-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-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).