N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide

C15H17FN4O — CID 107374362

IUPACN-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2cccc(F)c2)cn1
InChIInChI=1S/C15H17FN4O/c1-2-6-17-14-10-18-13(9-19-14)15(21)20-8-11-4-3-5-12(16)7-11/h3-5,7,9-10H,2,6,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyHNCOGXABGCHCQX-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide

N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107374362) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107374362
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2cccc(F)c2)cn1
InChIInChI=1S/C15H17FN4O/c1-2-6-17-14-10-18-13(9-19-14)15(21)20-8-11-4-3-5-12(16)7-11/h3-5,7,9-10H,2,6,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyHNCOGXABGCHCQX-UHFFFAOYSA-N
XLogP2.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107375724
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide (CID 107374362) is N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCc2cccc(F)c2)cn1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is HNCOGXABGCHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-6-17-14-10-18-13(9-19-14)15(21)20-8-11-4-3-5-12(16)7-11/h3-5,7,9-10H,2,6,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).