5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H14F3N7O — CID 164587379

IUPAC5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILES[H]/N=C/c1ccc(NC(=O)c2ccc(C#N)c(C(F)(F)F)n2)cc1Nc1cnn(C)c1
InChIInChI=1S/C19H14F3N7O/c1-29-10-14(9-25-29)26-16-6-13(4-2-11(16)7-23)27-18(30)15-5-3-12(8-24)17(28-15)19(20,21)22/h2-7,9-10,23,26H,1H3,(H,27,30)/b23-7+
InChIKeyQNBJUPWHUDPZNI-HCGXMYGOSA-N
MW413.36 g/mol
LogP3.70
Rot. Bonds5

About 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164587379) has the molecular formula C19H14F3N7O and a molecular weight of 413.36 g/mol. Its IUPAC name is 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164587379
Molecular FormulaC19H14F3N7O
Molecular Weight413.36 g/mol
Exact Mass413.12
IUPAC Name5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILES[H]/N=C/c1ccc(NC(=O)c2ccc(C#N)c(C(F)(F)F)n2)cc1Nc1cnn(C)c1
InChIInChI=1S/C19H14F3N7O/c1-29-10-14(9-25-29)26-16-6-13(4-2-11(16)7-23)27-18(30)15-5-3-12(8-24)17(28-15)19(20,21)22/h2-7,9-10,23,26H,1H3,(H,27,30)/b23-7+
InChIKeyQNBJUPWHUDPZNI-HCGXMYGOSA-N
XLogP3.70
TPSA119.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5-methanimidoyl-4-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 164587103
5-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]anilino]-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen
CID 164587020
3-cyano-N-[4-methanimidoyl-3-[(2-methylpyrimidin-5-yl)amino]phenyl]-2-propan-2-ylbenzamide
CID 164586810
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164586786
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 144595343
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylmorpholin-3-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164587401
N-[4-fluoro-3-[[5-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 163281437
(5S)-1-fluoro-5-[4-methanimidoyl-2-methyl-5-[(1-methylpyrazol-4-yl)amino]phenoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587075
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164587379) is 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is [H]/N=C/c1ccc(NC(=O)c2ccc(C#N)c(C(F)(F)F)n2)cc1Nc1cnn(C)c1.
What is the InChIKey of 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QNBJUPWHUDPZNI-HCGXMYGOSA-N. The full InChI is InChI=1S/C19H14F3N7O/c1-29-10-14(9-25-29)26-16-6-13(4-2-11(16)7-23)27-18(30)15-5-3-12(8-24)17(28-15)19(20,21)22/h2-7,9-10,23,26H,1H3,(H,27,30)/b23-7+.
What are the key properties of 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164587379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).