N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide

C25H25N3O — CID 146295793

IUPACN-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
SMILESO=C(NCCC1CC1)c1cccc(Nc2ccc(C=Cc3ccccn3)cc2)c1
InChIInChI=1S/C25H25N3O/c29-25(27-17-15-20-7-8-20)21-4-3-6-24(18-21)28-23-13-10-19(11-14-23)9-12-22-5-1-2-16-26-22/h1-6,9-14,16,18,20,28H,7-8,15,17H2,(H,27,29)
InChIKeyWMHKQNKWRGHEOT-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.53
Rot. Bonds8

About N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide

N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide (PubChem CID 146295793) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
PubChem CID146295793
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
SMILESO=C(NCCC1CC1)c1cccc(Nc2ccc(C=Cc3ccccn3)cc2)c1
InChIInChI=1S/C25H25N3O/c29-25(27-17-15-20-7-8-20)21-4-3-6-24(18-21)28-23-13-10-19(11-14-23)9-12-22-5-1-2-16-26-22/h1-6,9-14,16,18,20,28H,7-8,15,17H2,(H,27,29)
InChIKeyWMHKQNKWRGHEOT-UHFFFAOYSA-N
XLogP5.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
CID 146295769
4-cyclopentyl-1-[3-[4-[(E)-2-pyrazin-2-ylethenyl]anilino]phenyl]butan-1-one
CID 158518819
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 156755797
N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide
CID 146295901
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
1-[3-(oxolan-3-yl)propyl]-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]urea
CID 118762287
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
The IUPAC name of N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide (CID 146295793) is N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide is O=C(NCCC1CC1)c1cccc(Nc2ccc(C=Cc3ccccn3)cc2)c1.
What is the InChIKey of N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
The InChIKey is WMHKQNKWRGHEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c29-25(27-17-15-20-7-8-20)21-4-3-6-24(18-21)28-23-13-10-19(11-14-23)9-12-22-5-1-2-16-26-22/h1-6,9-14,16,18,20,28H,7-8,15,17H2,(H,27,29).
What are the key properties of N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide has a molecular weight of 383.50 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide is sourced from PubChem (CID 146295793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).