N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide

C15H13N5O2 — CID 108924075

IUPACN-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)c2cnccn2)c1
InChIInChI=1S/C15H13N5O2/c16-5-4-14(21)20-12-3-1-2-11(8-12)9-19-15(22)13-10-17-6-7-18-13/h1-3,6-8,10H,4,9H2,(H,19,22)(H,20,21)
InChIKeyZXJLWLBKUFYMRT-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.26
Rot. Bonds5

About N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide

N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 108924075) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID108924075
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)c2cnccn2)c1
InChIInChI=1S/C15H13N5O2/c16-5-4-14(21)20-12-3-1-2-11(8-12)9-19-15(22)13-10-17-6-7-18-13/h1-3,6-8,10H,4,9H2,(H,19,22)(H,20,21)
InChIKeyZXJLWLBKUFYMRT-UHFFFAOYSA-N
XLogP1.26
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924113
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-2,3,4-trifluorobenzamide
CID 108924063
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 108924009
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide (CID 108924075) is N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide is N#CCC(=O)Nc1cccc(CNC(=O)c2cnccn2)c1.
What is the InChIKey of N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is ZXJLWLBKUFYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c16-5-4-14(21)20-12-3-1-2-11(8-12)9-19-15(22)13-10-17-6-7-18-13/h1-3,6-8,10H,4,9H2,(H,19,22)(H,20,21).
What are the key properties of N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide?
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 108924075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).