5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide

C14H18N4O3 — CID 63141530

IUPAC5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide
SMILESCC1(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)CCNC1
InChIInChI=1S/C14H18N4O3/c1-14(2-3-17-7-14)13(21)18-10-5-8(11(15)19)4-9(6-10)12(16)20/h4-6,17H,2-3,7H2,1H3,(H2,15,19)(H2,16,20)(H,18,21)
InChIKeyYERJAIBJHRLXOU-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.18
Rot. Bonds4

About 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide

5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide (PubChem CID 63141530) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide
PubChem CID63141530
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide
SMILESCC1(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)CCNC1
InChIInChI=1S/C14H18N4O3/c1-14(2-3-17-7-14)13(21)18-10-5-8(11(15)19)4-9(6-10)12(16)20/h4-6,17H,2-3,7H2,1H3,(H2,15,19)(H2,16,20)(H,18,21)
InChIKeyYERJAIBJHRLXOU-UHFFFAOYSA-N
XLogP-0.18
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119727613
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
N-(3-fluoro-5-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 107335130
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-3-carboxamide
CID 63141092

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide (CID 63141530) is 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide is CC1(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)CCNC1.
What is the InChIKey of 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide?
The InChIKey is YERJAIBJHRLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2-3-17-7-14)13(21)18-10-5-8(11(15)19)4-9(6-10)12(16)20/h4-6,17H,2-3,7H2,1H3,(H2,15,19)(H2,16,20)(H,18,21).
What are the key properties of 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide?
5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 63141530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).