1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide

C13H18N4O2 — CID 63356602

IUPAC1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H18N4O2/c1-16-13(19)10-3-2-6-17(10)11-7-8(12(15)18)4-5-9(11)14/h4-5,7,10H,2-3,6,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyQLSXNCKYWAFFOC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.08
Rot. Bonds3

About 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide

1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 63356602) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID63356602
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H18N4O2/c1-16-13(19)10-3-2-6-17(10)11-7-8(12(15)18)4-5-9(11)14/h4-5,7,10H,2-3,6,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyQLSXNCKYWAFFOC-UHFFFAOYSA-N
XLogP0.08
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 103590158
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 54985330
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
CID 54986454

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide (CID 63356602) is 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1cc(C(N)=O)ccc1N.
What is the InChIKey of 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QLSXNCKYWAFFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-13(19)10-3-2-6-17(10)11-7-8(12(15)18)4-5-9(11)14/h4-5,7,10H,2-3,6,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide?
1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63356602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).