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

C14H15N5O2 — CID 32916582

IUPAC3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2nccnc2N)c1
InChIInChI=1S/C14H15N5O2/c1-16-13(20)10-4-2-3-9(7-10)8-19-14(21)11-12(15)18-6-5-17-11/h2-7H,8H2,1H3,(H2,15,18)(H,16,20)(H,19,21)
InChIKeyQQKJTDZFRJEPPN-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.35
Rot. Bonds4

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

3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 32916582) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID32916582
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2nccnc2N)c1
InChIInChI=1S/C14H15N5O2/c1-16-13(20)10-4-2-3-9(7-10)8-19-14(21)11-12(15)18-6-5-17-11/h2-7H,8H2,1H3,(H2,15,18)(H,16,20)(H,19,21)
InChIKeyQQKJTDZFRJEPPN-UHFFFAOYSA-N
XLogP0.35
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166325203
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
N-methyl-3-[[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111193650
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide (CID 32916582) is 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide is CNC(=O)c1cccc(CNC(=O)c2nccnc2N)c1.
What is the InChIKey of 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is QQKJTDZFRJEPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-16-13(20)10-4-2-3-9(7-10)8-19-14(21)11-12(15)18-6-5-17-11/h2-7H,8H2,1H3,(H2,15,18)(H,16,20)(H,19,21).
What are the key properties of 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 32916582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).