N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide

C16H14FN5O — CID 155482666

IUPACN-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide
SMILES[H]/N=C/c1cc(NC(=O)c2ncc(C#N)c(C)c2C)cc(F)c1N
InChIInChI=1S/C16H14FN5O/c1-8-9(2)15(21-7-11(8)6-19)16(23)22-12-3-10(5-18)14(20)13(17)4-12/h3-5,7,18H,20H2,1-2H3,(H,22,23)/b18-5+
InChIKeyUVBYIMWRJMOASO-BLLMUTORSA-N
MW311.32 g/mol
LogP2.54
Rot. Bonds3

About N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide

N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide (PubChem CID 155482666) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide
PubChem CID155482666
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide
SMILES[H]/N=C/c1cc(NC(=O)c2ncc(C#N)c(C)c2C)cc(F)c1N
InChIInChI=1S/C16H14FN5O/c1-8-9(2)15(21-7-11(8)6-19)16(23)22-12-3-10(5-18)14(20)13(17)4-12/h3-5,7,18H,20H2,1-2H3,(H,22,23)/b18-5+
InChIKeyUVBYIMWRJMOASO-BLLMUTORSA-N
XLogP2.54
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-[(E)-4,4,4-trifluorobut-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155574887
N-[4-amino-3-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
N-[4-amino-3-(1-methyl-2-oxopyridine-3-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482657
5-cyano-N-[3-(cyclopropanecarboximidoyl)-4-(iodophosphanylamino)phenyl]-3,4-dimethylpyridine-2-carboxamide
CID 155482749
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-2H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 155482160
5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172
5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide
CID 155482317
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 167611840
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812
5-cyano-3,4-dimethyl-N-[4-(oxan-2-ylamino)-3-(pyrimidine-4-carboximidoyl)phenyl]pyridine-2-carboxamide
CID 155482263

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide (CID 155482666) is N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide is [H]/N=C/c1cc(NC(=O)c2ncc(C#N)c(C)c2C)cc(F)c1N.
What is the InChIKey of N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide?
The InChIKey is UVBYIMWRJMOASO-BLLMUTORSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-8-9(2)15(21-7-11(8)6-19)16(23)22-12-3-10(5-18)14(20)13(17)4-12/h3-5,7,18H,20H2,1-2H3,(H,22,23)/b18-5+.
What are the key properties of N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide?
N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 155482666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).