4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide

C20H14F3N5O — CID 170228786

IUPAC4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide
SMILESN#Cc1nccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)c1C(F)(F)F
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)18-16(8-9-26-17(18)11-24)27-14-2-1-3-15(10-14)28-19(29)12-4-6-13(25)7-5-12/h1-10H,25H2,(H,26,27)(H,28,29)
InChIKeyRHVCHWBPISCXAJ-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.55
Rot. Bonds4

About 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide

4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide (PubChem CID 170228786) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide
PubChem CID170228786
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide
SMILESN#Cc1nccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)c1C(F)(F)F
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)18-16(8-9-26-17(18)11-24)27-14-2-1-3-15(10-14)28-19(29)12-4-6-13(25)7-5-12/h1-10H,25H2,(H,26,27)(H,28,29)
InChIKeyRHVCHWBPISCXAJ-UHFFFAOYSA-N
XLogP4.55
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 175884701
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
4-[(7-aminoquinolin-4-yl)amino]-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 24857954
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 59457943
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 166832939
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide (CID 170228786) is 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide is N#Cc1nccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)c1C(F)(F)F.
What is the InChIKey of 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide?
The InChIKey is RHVCHWBPISCXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)18-16(8-9-26-17(18)11-24)27-14-2-1-3-15(10-14)28-19(29)12-4-6-13(25)7-5-12/h1-10H,25H2,(H,26,27)(H,28,29).
What are the key properties of 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide?
4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide has a molecular weight of 397.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide is sourced from PubChem (CID 170228786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).