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

C13H17N3O3 — CID 102776437

IUPAC3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)c1cc(N2CCC(C)C2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O3/c1-8-4-6-16(11(8)13(18)19)9-3-5-15-10(7-9)12(17)14-2/h3,5,7-8,11H,4,6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyJOKSBUGSHHBDHN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.74
Rot. Bonds3

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

3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 102776437) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID102776437
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)c1cc(N2CCC(C)C2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O3/c1-8-4-6-16(11(8)13(18)19)9-3-5-15-10(7-9)12(17)14-2/h3,5,7-8,11H,4,6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyJOKSBUGSHHBDHN-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
2-[2-(methylcarbamoyl)-4-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892004
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 43517734
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63853891
methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
CID 115538541
4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526015
N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136568235
1-(5-bromoisoquinolin-1-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 106536499
1-(3-methoxy-4-nitrophenyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776506
N-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 61241269

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid (CID 102776437) is 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid is CNC(=O)c1cc(N2CCC(C)C2C(=O)O)ccn1.
What is the InChIKey of 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JOKSBUGSHHBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-4-6-16(11(8)13(18)19)9-3-5-15-10(7-9)12(17)14-2/h3,5,7-8,11H,4,6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).