N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide

C14H19N3O2 — CID 102777919

IUPACN-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C1NCCC1C
InChIInChI=1S/C14H19N3O2/c1-8-5-6-16-12(8)14(19)17-11-4-3-10(13(15)18)7-9(11)2/h3-4,7-8,12,16H,5-6H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyUSJJVWIEIPAFAT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.03
Rot. Bonds3

About N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide

N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777919) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102777919
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C1NCCC1C
InChIInChI=1S/C14H19N3O2/c1-8-5-6-16-12(8)14(19)17-11-4-3-10(13(15)18)7-9(11)2/h3-4,7-8,12,16H,5-6H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyUSJJVWIEIPAFAT-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102777869

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102777919) is N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide is Cc1cc(C(N)=O)ccc1NC(=O)C1NCCC1C.
What is the InChIKey of N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is USJJVWIEIPAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-5-6-16-12(8)14(19)17-11-4-3-10(13(15)18)7-9(11)2/h3-4,7-8,12,16H,5-6H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).