3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide

C20H19N5O2 — CID 91597918

IUPAC3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(CNC(=O)c3ccccc3)c2)nc1C(N)=O
InChIInChI=1S/C20H19N5O2/c21-10-16-18(19(22)26)25-17(12-23-16)15-8-4-5-13(9-15)11-24-20(27)14-6-2-1-3-7-14/h1-9,12H,10-11,21H2,(H2,22,26)(H,24,27)
InChIKeyITACDJHAWWNCMA-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.63
Rot. Bonds6

About 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide

3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 91597918) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
PubChem CID91597918
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(CNC(=O)c3ccccc3)c2)nc1C(N)=O
InChIInChI=1S/C20H19N5O2/c21-10-16-18(19(22)26)25-17(12-23-16)15-8-4-5-13(9-15)11-24-20(27)14-6-2-1-3-7-14/h1-9,12H,10-11,21H2,(H2,22,26)(H,24,27)
InChIKeyITACDJHAWWNCMA-UHFFFAOYSA-N
XLogP1.63
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-6-[3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91338091
3-(aminomethyl)-6-[5-(benzylcarbamoyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 91376256
3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 91250316
3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 91502013
3-(aminomethyl)-6-[3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91147539
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
CID 91210304
3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
CID 91281479
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367
3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68820915
3-[5-amino-6-[N-(carbamohydrazonoylamino)-C-methylcarbonimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 90946975

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide (CID 91597918) is 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide is NCc1ncc(-c2cccc(CNC(=O)c3ccccc3)c2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ITACDJHAWWNCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-10-16-18(19(22)26)25-17(12-23-16)15-8-4-5-13(9-15)11-24-20(27)14-6-2-1-3-7-14/h1-9,12H,10-11,21H2,(H2,22,26)(H,24,27).
What are the key properties of 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide?
3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91597918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).