3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid

C18H19N3O3 — CID 174176072

IUPAC3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C1CCN(c2cncc(C(N)=O)c2)C1
InChIInChI=1S/C18H19N3O3/c1-11-2-3-12(18(23)24)7-16(11)13-4-5-21(10-13)15-6-14(17(19)22)8-20-9-15/h2-3,6-9,13H,4-5,10H2,1H3,(H2,19,22)(H,23,24)
InChIKeyBYGCYORYUQUZNK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.18
Rot. Bonds4

About 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid

3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid (PubChem CID 174176072) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid
PubChem CID174176072
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C1CCN(c2cncc(C(N)=O)c2)C1
InChIInChI=1S/C18H19N3O3/c1-11-2-3-12(18(23)24)7-16(11)13-4-5-21(10-13)15-6-14(17(19)22)8-20-9-15/h2-3,6-9,13H,4-5,10H2,1H3,(H2,19,22)(H,23,24)
InChIKeyBYGCYORYUQUZNK-UHFFFAOYSA-N
XLogP2.18
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(5-cyano-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid
CID 170157115
4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
4-methyl-3-[(3S)-1-(5-morpholin-4-yl-3-pyridinyl)pyrrolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170256408
3-[1-[5-(difluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174175974
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
4-methyl-3-[(3S)-1-[3-(methylamino)pyrazin-2-yl]pyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176009
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 177196759
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
CID 68603079

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid?
The IUPAC name of 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid (CID 174176072) is 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid?
The canonical SMILES for 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1C1CCN(c2cncc(C(N)=O)c2)C1.
What is the InChIKey of 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid?
The InChIKey is BYGCYORYUQUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-2-3-12(18(23)24)7-16(11)13-4-5-21(10-13)15-6-14(17(19)22)8-20-9-15/h2-3,6-9,13H,4-5,10H2,1H3,(H2,19,22)(H,23,24).
What are the key properties of 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid?
3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-carbamoyl-3-pyridinyl)pyrrolidin-3-yl]-4-methylbenzoic acid is sourced from PubChem (CID 174176072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).