2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide

C13H11F2N3O — CID 63791914

IUPAC2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C13H11F2N3O/c14-9-3-4-11(15)8(6-9)7-18-13(19)10-2-1-5-17-12(10)16/h1-6H,7H2,(H2,16,17)(H,18,19)
InChIKeyXEQLVYCLEIHFIG-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide

2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 63791914) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID63791914
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C13H11F2N3O/c14-9-3-4-11(15)8(6-9)7-18-13(19)10-2-1-5-17-12(10)16/h1-6H,7H2,(H2,16,17)(H,18,19)
InChIKeyXEQLVYCLEIHFIG-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 55236272
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide (CID 63791914) is 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide is Nc1ncccc1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is XEQLVYCLEIHFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-3-4-11(15)8(6-9)7-18-13(19)10-2-1-5-17-12(10)16/h1-6H,7H2,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide?
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63791914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).