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

C21H21N5O2 — CID 91250316

IUPAC3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(C(=O)NCCc3ccccc3)c2)nc1C(N)=O
InChIInChI=1S/C21H21N5O2/c22-12-17-19(20(23)27)26-18(13-25-17)15-7-4-8-16(11-15)21(28)24-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12,22H2,(H2,23,27)(H,24,28)
InChIKeySLSTVORDVSQNBY-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.67
Rot. Bonds7

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

3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 91250316) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID91250316
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(C(=O)NCCc3ccccc3)c2)nc1C(N)=O
InChIInChI=1S/C21H21N5O2/c22-12-17-19(20(23)27)26-18(13-25-17)15-7-4-8-16(11-15)21(28)24-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12,22H2,(H2,23,27)(H,24,28)
InChIKeySLSTVORDVSQNBY-UHFFFAOYSA-N
XLogP1.67
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
CID 91597918
3-(aminomethyl)-6-[3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91147539
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-phenylethoxy)phenyl]pyrazine-2-carboxamide
CID 91210304
3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
CID 91281479
3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 91502013
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide (CID 91250316) is 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide is NCc1ncc(-c2cccc(C(=O)NCCc3ccccc3)c2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is SLSTVORDVSQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-12-17-19(20(23)27)26-18(13-25-17)15-7-4-8-16(11-15)21(28)24-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12,22H2,(H2,23,27)(H,24,28).
What are the key properties of 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91250316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).