(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

C18H21N3O2 — CID 94759624

IUPAC(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C\C(=O)NCc2ccncc2)cc1N
InChIInChI=1S/C18H21N3O2/c1-2-11-23-17-5-3-14(12-16(17)19)4-6-18(22)21-13-15-7-9-20-10-8-15/h3-10,12H,2,11,13,19H2,1H3,(H,21,22)/b6-4-
InChIKeyMMVPHVKFWLPKQP-XQRVVYSFSA-N
MW311.39 g/mol
LogP2.78
Rot. Bonds7

About (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 94759624) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID94759624
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C\C(=O)NCc2ccncc2)cc1N
InChIInChI=1S/C18H21N3O2/c1-2-11-23-17-5-3-14(12-16(17)19)4-6-18(22)21-13-15-7-9-20-10-8-15/h3-10,12H,2,11,13,19H2,1H3,(H,21,22)/b6-4-
InChIKeyMMVPHVKFWLPKQP-XQRVVYSFSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)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

(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
(Z)-3-(3-amino-4-propoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 94759629
(E)-N-[(4-acetamidophenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 32859165
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
CID 82153048
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
(E)-3-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]prop-2-enamide
CID 54776580
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759712

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 94759624) is (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is CCCOc1ccc(/C=C\C(=O)NCc2ccncc2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is MMVPHVKFWLPKQP-XQRVVYSFSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-11-23-17-5-3-14(12-16(17)19)4-6-18(22)21-13-15-7-9-20-10-8-15/h3-10,12H,2,11,13,19H2,1H3,(H,21,22)/b6-4-.
What are the key properties of (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 311.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 94759624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).