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

C25H21N5O3 — CID 91281479

IUPAC3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(NC(=O)c3cccc(Oc4ccccc4)c3)c2)nc1C(N)=O
InChIInChI=1S/C25H21N5O3/c26-14-21-23(24(27)31)30-22(15-28-21)16-6-4-8-18(12-16)29-25(32)17-7-5-11-20(13-17)33-19-9-2-1-3-10-19/h1-13,15H,14,26H2,(H2,27,31)(H,29,32)
InChIKeySYXBCTXILVTQJU-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.75
Rot. Bonds7

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

3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide (PubChem CID 91281479) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
PubChem CID91281479
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(NC(=O)c3cccc(Oc4ccccc4)c3)c2)nc1C(N)=O
InChIInChI=1S/C25H21N5O3/c26-14-21-23(24(27)31)30-22(15-28-21)16-6-4-8-18(12-16)29-25(32)17-7-5-11-20(13-17)33-19-9-2-1-3-10-19/h1-13,15H,14,26H2,(H2,27,31)(H,29,32)
InChIKeySYXBCTXILVTQJU-UHFFFAOYSA-N
XLogP3.75
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-6-[3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91338091
3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 91502013
3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 91250316
3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
CID 91597918
3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
CID 91210304
3-(aminomethyl)-6-[3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91147539
3-(aminomethyl)-6-[5-(benzylcarbamoyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 91376256
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-(3-ethylphenyl)-3-phenoxybenzamide
CID 7935232
3-(3-ethoxyphenyl)-5-[(3-phenoxybenzoyl)amino]benzoic acid
CID 171782857
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide (CID 91281479) is 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide is NCc1ncc(-c2cccc(NC(=O)c3cccc(Oc4ccccc4)c3)c2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is SYXBCTXILVTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c26-14-21-23(24(27)31)30-22(15-28-21)16-6-4-8-18(12-16)29-25(32)17-7-5-11-20(13-17)33-19-9-2-1-3-10-19/h1-13,15H,14,26H2,(H2,27,31)(H,29,32).
What are the key properties of 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide?
3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91281479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).