5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide

C12H16N4O3 — CID 55096712

IUPAC5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
SMILESCNC(C)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C12H16N4O3/c1-6(15-2)12(19)16-9-4-7(10(13)17)3-8(5-9)11(14)18/h3-6,15H,1-2H3,(H2,13,17)(H2,14,18)(H,16,19)
InChIKeyKWMKUPIEOLYCQQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.57
Rot. Bonds5

About 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide

5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide (PubChem CID 55096712) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
PubChem CID55096712
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
SMILESCNC(C)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C12H16N4O3/c1-6(15-2)12(19)16-9-4-7(10(13)17)3-8(5-9)11(14)18/h3-6,15H,1-2H3,(H2,13,17)(H2,14,18)(H,16,19)
InChIKeyKWMKUPIEOLYCQQ-UHFFFAOYSA-N
XLogP-0.57
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide
CID 113218225
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
CID 107574214
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-2-methyl-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate
CID 71122038
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
3-(2-aminopropanoylamino)benzamide
CID 61258270
3-acetyl-5-(methylamino)benzamide
CID 143405915
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide (CID 55096712) is 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide is CNC(C)C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide?
The InChIKey is KWMKUPIEOLYCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6(15-2)12(19)16-9-4-7(10(13)17)3-8(5-9)11(14)18/h3-6,15H,1-2H3,(H2,13,17)(H2,14,18)(H,16,19).
What are the key properties of 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide?
5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide has a molecular weight of 264.29 g/mol, XLogP of -0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 55096712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).