4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 79043144

IUPAC4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncccc1NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C13H17N3O3/c1-8-6-16(7-10(8)12(17)18)13(19)15-11-4-3-5-14-9(11)2/h3-5,8,10H,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLBBVWJMEOVHATA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79043144) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79043144
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncccc1NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C13H17N3O3/c1-8-6-16(7-10(8)12(17)18)13(19)15-11-4-3-5-14-9(11)2/h3-5,8,10H,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLBBVWJMEOVHATA-UHFFFAOYSA-N
XLogP1.57
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721642
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606453
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147
1-[(2,5-dibromophenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720417
1-[(4-methoxy-2-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721672
1-[(2-methyl-3-pyridinyl)carbamoyl]azepane-2-carboxylic acid
CID 79043925
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527
(3S,4S)-1-[(2,4-dimethyl-3-pyridinyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122093187
(3S,4S)-4-methyl-1-[2-(propan-2-ylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112300
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 79043144) is 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1ncccc1NC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LBBVWJMEOVHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-16(7-10(8)12(17)18)13(19)15-11-4-3-5-14-9(11)2/h3-5,8,10H,6-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79043144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).