1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide

C14H20N4O2 — CID 63357045

IUPAC1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(N)c(N2CCCC2C(=O)NC)c1
InChIInChI=1S/C14H20N4O2/c1-16-13(19)9-5-6-10(15)12(8-9)18-7-3-4-11(18)14(20)17-2/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyQLDBTOWQYFAYEJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.34
Rot. Bonds3

About 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide

1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 63357045) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID63357045
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(N)c(N2CCCC2C(=O)NC)c1
InChIInChI=1S/C14H20N4O2/c1-16-13(19)9-5-6-10(15)12(8-9)18-7-3-4-11(18)14(20)17-2/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyQLDBTOWQYFAYEJ-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.34
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-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 63356602
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
CID 63357388
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
4-amino-N-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 79927793
1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 103590158
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
CID 63357224
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide (CID 63357045) is 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)c1ccc(N)c(N2CCCC2C(=O)NC)c1.
What is the InChIKey of 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QLDBTOWQYFAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16-13(19)9-5-6-10(15)12(8-9)18-7-3-4-11(18)14(20)17-2/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.34, 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-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63357045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).