N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide

C15H21N3O2 — CID 63006819

IUPACN-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2CCNC2)c1C
InChIInChI=1S/C15H21N3O2/c1-3-14(19)17-12-5-4-6-13(10(12)2)18-15(20)11-7-8-16-9-11/h4-6,11,16H,3,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNKNYVWDHQUPZNQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds4

About N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide

N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63006819) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID63006819
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2CCNC2)c1C
InChIInChI=1S/C15H21N3O2/c1-3-14(19)17-12-5-4-6-13(10(12)2)18-15(20)11-7-8-16-9-11/h4-6,11,16H,3,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNKNYVWDHQUPZNQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
CID 119301618
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide (CID 63006819) is N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide is CCC(=O)Nc1cccc(NC(=O)C2CCNC2)c1C.
What is the InChIKey of N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NKNYVWDHQUPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-14(19)17-12-5-4-6-13(10(12)2)18-15(20)11-7-8-16-9-11/h4-6,11,16H,3,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).