1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide

C13H17N3O2 — CID 114081662

IUPAC1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N)c(C(=O)N2CCC(C(N)=O)C2)c1
InChIInChI=1S/C13H17N3O2/c1-8-2-3-11(14)10(6-8)13(18)16-5-4-9(7-16)12(15)17/h2-3,6,9H,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyAQCDUMMYLYAOSE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.52
Rot. Bonds2

About 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide

1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 114081662) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID114081662
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N)c(C(=O)N2CCC(C(N)=O)C2)c1
InChIInChI=1S/C13H17N3O2/c1-8-2-3-11(14)10(6-8)13(18)16-5-4-9(7-16)12(15)17/h2-3,6,9H,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyAQCDUMMYLYAOSE-UHFFFAOYSA-N
XLogP0.52
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
CID 80948959
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 55249335
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
1-(2-chloro-5-sulfanylbenzoyl)pyrrolidine-3-carboxamide
CID 114082529
1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91795304

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide (CID 114081662) is 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide is Cc1ccc(N)c(C(=O)N2CCC(C(N)=O)C2)c1.
What is the InChIKey of 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is AQCDUMMYLYAOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-2-3-11(14)10(6-8)13(18)16-5-4-9(7-16)12(15)17/h2-3,6,9H,4-5,7,14H2,1H3,(H2,15,17).
What are the key properties of 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide?
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).