N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide

C12H17N3O — CID 112557540

IUPACN-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(N)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H17N3O/c1-9-4-5-10(13)11(8-9)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,16)
InChIKeyQIWRUYDCXGAMFN-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.20
Rot. Bonds1

About N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide

N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 112557540) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID112557540
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(N)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H17N3O/c1-9-4-5-10(13)11(8-9)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,16)
InChIKeyQIWRUYDCXGAMFN-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359
N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
CID 91075278
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 112557420
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide (CID 112557540) is N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(N)c(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QIWRUYDCXGAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-5-10(13)11(8-9)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,16).
What are the key properties of N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide?
N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 112557540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).