(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide

C19H23N3O2 — CID 82153848

IUPAC(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C\C(=O)Nc2cc(C)ccn2)cc1N
InChIInChI=1S/C19H23N3O2/c1-3-4-11-24-17-7-5-15(13-16(17)20)6-8-19(23)22-18-12-14(2)9-10-21-18/h5-10,12-13H,3-4,11,20H2,1-2H3,(H,21,22,23)/b8-6-
InChIKeyDLCKYPSCZRAURT-VURMDHGXSA-N
MW325.41 g/mol
LogP3.80
Rot. Bonds7

About (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide

(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 82153848) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
PubChem CID82153848
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C\C(=O)Nc2cc(C)ccn2)cc1N
InChIInChI=1S/C19H23N3O2/c1-3-4-11-24-17-7-5-15(13-16(17)20)6-8-19(23)22-18-12-14(2)9-10-21-18/h5-10,12-13H,3-4,11,20H2,1-2H3,(H,21,22,23)/b8-6-
InChIKeyDLCKYPSCZRAURT-VURMDHGXSA-N
XLogP3.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)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-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 94760339
(E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 6281110
(Z)-3-(3-amino-4-butoxyphenyl)prop-2-enoic acid
CID 82152619
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 94759624
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9495445
(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
CID 94760106
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755527
3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 3271455

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (CID 82153848) is (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is CCCCOc1ccc(/C=C\C(=O)Nc2cc(C)ccn2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is DLCKYPSCZRAURT-VURMDHGXSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-11-24-17-7-5-15(13-16(17)20)6-8-19(23)22-18-12-14(2)9-10-21-18/h5-10,12-13H,3-4,11,20H2,1-2H3,(H,21,22,23)/b8-6-.
What are the key properties of (Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.80, 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-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 82153848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).