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

C25H27N3O — CID 146295769

IUPACN-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
SMILESCC(C)(C)CNC(=O)c1cccc(Nc2ccc(C=Cc3ccccn3)cc2)c1
InChIInChI=1S/C25H27N3O/c1-25(2,3)18-27-24(29)20-7-6-9-23(17-20)28-22-14-11-19(12-15-22)10-13-21-8-4-5-16-26-21/h4-17,28H,18H2,1-3H3,(H,27,29)
InChIKeyMVSQVLWLEJUIAS-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.77
Rot. Bonds6

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

N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide (PubChem CID 146295769) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
PubChem CID146295769
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
SMILESCC(C)(C)CNC(=O)c1cccc(Nc2ccc(C=Cc3ccccn3)cc2)c1
InChIInChI=1S/C25H27N3O/c1-25(2,3)18-27-24(29)20-7-6-9-23(17-20)28-22-14-11-19(12-15-22)10-13-21-8-4-5-16-26-21/h4-17,28H,18H2,1-3H3,(H,27,29)
InChIKeyMVSQVLWLEJUIAS-UHFFFAOYSA-N
XLogP5.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
CID 146295793
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
3-[3-(4-tert-butylphenyl)prop-2-enoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55782478
4-cyclopentyl-1-[3-[4-[(E)-2-pyrazin-2-ylethenyl]anilino]phenyl]butan-1-one
CID 158518819
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
CID 18267398
N-(2-amino-2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134158044
N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
CID 67055113
tert-butyl N-[4-[6-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]hexoxy]phenyl]carbamate
CID 102416606
3-[4-(diethylaminomethyl)triazol-1-yl]-N-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]aniline;ethane
CID 153391516

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide (CID 146295769) is N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide is CC(C)(C)CNC(=O)c1cccc(Nc2ccc(C=Cc3ccccn3)cc2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
The InChIKey is MVSQVLWLEJUIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-25(2,3)18-27-24(29)20-7-6-9-23(17-20)28-22-14-11-19(12-15-22)10-13-21-8-4-5-16-26-21/h4-17,28H,18H2,1-3H3,(H,27,29).
What are the key properties of N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide?
N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide has a molecular weight of 385.51 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide is sourced from PubChem (CID 146295769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).