(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H25N3O2 — CID 28901940

IUPAC(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(NCCCO)nc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)17-7-4-16(5-8-17)6-11-20(25)23-18-9-10-19(22-14-18)21-12-3-13-24/h4-11,14-15,24H,3,12-13H2,1-2H3,(H,21,22)(H,23,25)/b11-6+
InChIKeyVMGMDZFNZVITFF-IZZDOVSWSA-N
MW339.44 g/mol
LogP3.65
Rot. Bonds8

About (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 28901940) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID28901940
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(NCCCO)nc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)17-7-4-16(5-8-17)6-11-20(25)23-18-9-10-19(22-14-18)21-12-3-13-24/h4-11,14-15,24H,3,12-13H2,1-2H3,(H,21,22)(H,23,25)/b11-6+
InChIKeyVMGMDZFNZVITFF-IZZDOVSWSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide 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

(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
CID 28903698
(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide
CID 28903711
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
2-[(5-propan-2-yl-2-pyridinyl)amino]ethanol
CID 134516865
ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 766245
ethyl 4-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]benzoate
CID 766243

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 28901940) is (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NCCCO)nc2)cc1.
What is the InChIKey of (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is VMGMDZFNZVITFF-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)17-7-4-16(5-8-17)6-11-20(25)23-18-9-10-19(22-14-18)21-12-3-13-24/h4-11,14-15,24H,3,12-13H2,1-2H3,(H,21,22)(H,23,25)/b11-6+.
What are the key properties of (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 28901940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).