2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide

C15H12F2N4O — CID 99789948

IUPAC2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(C#N)nc1
InChIInChI=1S/C15H12F2N4O/c1-21(14-3-2-12(7-18)19-8-14)9-15(22)20-13-5-10(16)4-11(17)6-13/h2-6,8H,9H2,1H3,(H,20,22)
InChIKeyDAGZXLJAULINFW-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.31
Rot. Bonds4

About 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide

2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 99789948) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
PubChem CID99789948
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(C#N)nc1
InChIInChI=1S/C15H12F2N4O/c1-21(14-3-2-12(7-18)19-8-14)9-15(22)20-13-5-10(16)4-11(17)6-13/h2-6,8H,9H2,1H3,(H,20,22)
InChIKeyDAGZXLJAULINFW-UHFFFAOYSA-N
XLogP2.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 133352459
N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
CID 133358596
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-(3,5-difluorophenyl)-2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]acetamide
CID 71873708
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide
CID 86805485
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 71982948

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide (CID 99789948) is 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(C#N)nc1.
What is the InChIKey of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is DAGZXLJAULINFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-21(14-3-2-12(7-18)19-8-14)9-15(22)20-13-5-10(16)4-11(17)6-13/h2-6,8H,9H2,1H3,(H,20,22).
What are the key properties of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 302.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 99789948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).