(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide

C17H26FN3O — CID 143720065

IUPAC(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide
SMILESCCCC1CCC(NC(=O)/C(N)=C/N2C=C(F)C=CC2)CC1
InChIInChI=1S/C17H26FN3O/c1-2-4-13-6-8-15(9-7-13)20-17(22)16(19)12-21-10-3-5-14(18)11-21/h3,5,11-13,15H,2,4,6-10,19H2,1H3,(H,20,22)/b16-12-
InChIKeyGINCRMVIOSOIOZ-VBKFSLOCSA-N
MW307.41 g/mol
LogP2.94
Rot. Bonds5

About (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide

(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide (PubChem CID 143720065) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide
PubChem CID143720065
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide
SMILESCCCC1CCC(NC(=O)/C(N)=C/N2C=C(F)C=CC2)CC1
InChIInChI=1S/C17H26FN3O/c1-2-4-13-6-8-15(9-7-13)20-17(22)16(19)12-21-10-3-5-14(18)11-21/h3,5,11-13,15H,2,4,6-10,19H2,1H3,(H,20,22)/b16-12-
InChIKeyGINCRMVIOSOIOZ-VBKFSLOCSA-N
XLogP2.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide?
The IUPAC name of (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide (CID 143720065) is (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide is CCCC1CCC(NC(=O)/C(N)=C/N2C=C(F)C=CC2)CC1.
What is the InChIKey of (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide?
The InChIKey is GINCRMVIOSOIOZ-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-2-4-13-6-8-15(9-7-13)20-17(22)16(19)12-21-10-3-5-14(18)11-21/h3,5,11-13,15H,2,4,6-10,19H2,1H3,(H,20,22)/b16-12-.
What are the key properties of (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide?
(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide has a molecular weight of 307.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 143720065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).