N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide

C15H15FN4O — CID 109272170

IUPACN-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN4O/c1-2-7-17-14-10-18-13(9-19-14)15(21)20-8-11-3-5-12(16)6-4-11/h2-6,9-10H,1,7-8H2,(H,17,19)(H,20,21)
InChIKeyNEYBLLQKILJGFS-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.14
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272170) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272170
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN4O/c1-2-7-17-14-10-18-13(9-19-14)15(21)20-8-11-3-5-12(16)6-4-11/h2-6,9-10H,1,7-8H2,(H,17,19)(H,20,21)
InChIKeyNEYBLLQKILJGFS-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
CID 109271987
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281677
5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281641

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272170) is N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is NEYBLLQKILJGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-7-17-14-10-18-13(9-19-14)15(21)20-8-11-3-5-12(16)6-4-11/h2-6,9-10H,1,7-8H2,(H,17,19)(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).