4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C18H18N2O3 — CID 119180829

IUPAC4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C1CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H18N2O3/c1-12-5-2-3-6-14(12)16-7-4-10-20(16)17(21)13-8-9-19-15(11-13)18(22)23/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,22,23)
InChIKeyCVKOZRXZOPZTFV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.07
Rot. Bonds3

About 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119180829) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119180829
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C1CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H18N2O3/c1-12-5-2-3-6-14(12)16-7-4-10-20(16)17(21)13-8-9-19-15(11-13)18(22)23/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,22,23)
InChIKeyCVKOZRXZOPZTFV-UHFFFAOYSA-N
XLogP3.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119180829) is 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is Cc1ccccc1C1CCCN1C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is CVKOZRXZOPZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-2-3-6-14(12)16-7-4-10-20(16)17(21)13-8-9-19-15(11-13)18(22)23/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,22,23).
What are the key properties of 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).