N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide

C14H13F2N3O — CID 62229094

IUPACN-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O/c1-17-13-11(3-2-6-18-13)14(20)19-8-9-4-5-10(15)7-12(9)16/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyIVYQUXNLJDOJEW-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.33
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62229094) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID62229094
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O/c1-17-13-11(3-2-6-18-13)14(20)19-8-9-4-5-10(15)7-12(9)16/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyIVYQUXNLJDOJEW-UHFFFAOYSA-N
XLogP2.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide (CID 62229094) is N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is IVYQUXNLJDOJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-17-13-11(3-2-6-18-13)14(20)19-8-9-4-5-10(15)7-12(9)16/h2-7H,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62229094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).