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

C18H21N3O2 — CID 94760339

IUPAC(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccnc(NC(=O)/C=C\c2ccc(OC(C)C)c(N)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12(2)23-16-6-4-14(11-15(16)19)5-7-18(22)21-17-10-13(3)8-9-20-17/h4-12H,19H2,1-3H3,(H,20,21,22)/b7-5-
InChIKeyNQNWUSPGTHZBLM-ALCCZGGFSA-N
MW311.39 g/mol
LogP3.41
Rot. Bonds5

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

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 94760339) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
PubChem CID94760339
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccnc(NC(=O)/C=C\c2ccc(OC(C)C)c(N)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12(2)23-16-6-4-14(11-15(16)19)5-7-18(22)21-17-10-13(3)8-9-20-17/h4-12H,19H2,1-3H3,(H,20,21,22)/b7-5-
InChIKeyNQNWUSPGTHZBLM-ALCCZGGFSA-N
XLogP3.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.41
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'}

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Related Compounds

(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 82153848
(E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 6281110
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 82153796
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
CID 82152897
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 82152908
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 4157604
(E)-N-(2-fluoro-4-methylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26699608

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (CID 94760339) is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is Cc1ccnc(NC(=O)/C=C\c2ccc(OC(C)C)c(N)c2)c1.
What is the InChIKey of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is NQNWUSPGTHZBLM-ALCCZGGFSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)23-16-6-4-14(11-15(16)19)5-7-18(22)21-17-10-13(3)8-9-20-17/h4-12H,19H2,1-3H3,(H,20,21,22)/b7-5-.
What are the key properties of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 311.39 g/mol, XLogP of 3.41, 5 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-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 94760339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).