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

C13H17N3O2 — CID 63007219

IUPACN-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17N3O2/c1-8-6-9(12(14)17)2-3-11(8)16-13(18)10-4-5-15-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H2,14,17)(H,16,18)
InChIKeySRQTTXNNPCBBDE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.64
Rot. Bonds3

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

N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 63007219) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID63007219
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17N3O2/c1-8-6-9(12(14)17)2-3-11(8)16-13(18)10-4-5-15-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H2,14,17)(H,16,18)
InChIKeySRQTTXNNPCBBDE-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.64
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-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119766390
N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 119739476
3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875683
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
CID 116675477

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide (CID 63007219) is N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C(N)=O)ccc1NC(=O)C1CCNC1.
What is the InChIKey of N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SRQTTXNNPCBBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-6-9(12(14)17)2-3-11(8)16-13(18)10-4-5-15-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide?
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.64, 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)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).