4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C14H19N3O2 — CID 63714278

IUPAC4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CNCC2C)cc1
InChIInChI=1S/C14H19N3O2/c1-9-7-16-8-12(9)14(19)17-11-5-3-10(4-6-11)13(18)15-2/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyVQAQRPOSNSUDLC-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.84
Rot. Bonds3

About 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63714278) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63714278
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CNCC2C)cc1
InChIInChI=1S/C14H19N3O2/c1-9-7-16-8-12(9)14(19)17-11-5-3-10(4-6-11)13(18)15-2/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyVQAQRPOSNSUDLC-UHFFFAOYSA-N
XLogP0.84
TPSA70.23 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 ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63715280
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715613
N-(3-chloro-4-cyanophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63715589
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 113357371
4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 63714328
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
(E)-3-[3-[(4-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339670
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63716289

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 63714278) is 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2CNCC2C)cc1.
What is the InChIKey of 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VQAQRPOSNSUDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-7-16-8-12(9)14(19)17-11-5-3-10(4-6-11)13(18)15-2/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63714278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).