1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C18H19N3O3 — CID 122094127

IUPAC1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CCC(C(=O)O)C2)ccc1-c1ccncc1
InChIInChI=1S/C18H19N3O3/c1-12-10-15(2-3-16(12)13-4-7-19-8-5-13)20-18(24)21-9-6-14(11-21)17(22)23/h2-5,7-8,10,14H,6,9,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyZIFMBDRRHNUMIE-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.00
Rot. Bonds3

About 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122094127) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122094127
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CCC(C(=O)O)C2)ccc1-c1ccncc1
InChIInChI=1S/C18H19N3O3/c1-12-10-15(2-3-16(12)13-4-7-19-8-5-13)20-18(24)21-9-6-14(11-21)17(22)23/h2-5,7-8,10,14H,6,9,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyZIFMBDRRHNUMIE-UHFFFAOYSA-N
XLogP3.00
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-methyl-4-pyridin-4-ylphenyl)-1,4-thiazepane-4-carboxamide
CID 126817151
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085939
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-[(3-iodophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55151371
(3R)-1-[(4-chloro-3-methylsulfonylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468802
(3S)-1-[(4-chloro-3-methylsulfonylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468803
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077826
1-[(3-iodo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093344
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030508
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122094127) is 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1cc(NC(=O)N2CCC(C(=O)O)C2)ccc1-c1ccncc1.
What is the InChIKey of 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZIFMBDRRHNUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-10-15(2-3-16(12)13-4-7-19-8-5-13)20-18(24)21-9-6-14(11-21)17(22)23/h2-5,7-8,10,14H,6,9,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122094127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).