N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide

C15H14FN3O — CID 165351494

IUPACN-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(c1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C15H14FN3O/c1-3-14(20)19(2)15(13-10-17-8-9-18-13)11-4-6-12(16)7-5-11/h3-10,15H,1H2,2H3
InChIKeyNGNOCMPJJHWIIZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.35
Rot. Bonds4

About N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide

N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide (PubChem CID 165351494) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide
PubChem CID165351494
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC NameN-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(c1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C15H14FN3O/c1-3-14(20)19(2)15(13-10-17-8-9-18-13)11-4-6-12(16)7-5-11/h3-10,15H,1H2,2H3
InChIKeyNGNOCMPJJHWIIZ-UHFFFAOYSA-N
XLogP2.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-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

N-[(S)-(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpent-4-enamide
CID 97222002
2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide
CID 146086024
(1S)-1-(4-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81347549
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
N-[bis(4-fluorophenyl)methyl]-N-methylacetamide
CID 22660932
2-(dimethylamino)-2-pyrazin-2-ylacetic acid
CID 82408477
N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
CID 75424625
N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
CID 95330210
4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoic acid
CID 134080787
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 126471519

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide (CID 165351494) is N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)C(c1ccc(F)cc1)c1cnccn1.
What is the InChIKey of N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide?
The InChIKey is NGNOCMPJJHWIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-3-14(20)19(2)15(13-10-17-8-9-18-13)11-4-6-12(16)7-5-11/h3-10,15H,1H2,2H3.
What are the key properties of N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide?
N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide has a molecular weight of 271.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 165351494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).