4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid

C17H17N3O3 — CID 66622606

IUPAC4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCC(NC(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C17H17N3O3/c21-16(13-2-1-8-18-10-13)19-14-7-9-20(11-14)15-5-3-12(4-6-15)17(22)23/h1-6,8,10,14H,7,9,11H2,(H,19,21)(H,22,23)
InChIKeyLRHOCMJNBRAXDZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.79
Rot. Bonds4

About 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid

4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid (PubChem CID 66622606) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
PubChem CID66622606
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCC(NC(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C17H17N3O3/c21-16(13-2-1-8-18-10-13)19-14-7-9-20(11-14)15-5-3-12(4-6-15)17(22)23/h1-6,8,10,14H,7,9,11H2,(H,19,21)(H,22,23)
InChIKeyLRHOCMJNBRAXDZ-UHFFFAOYSA-N
XLogP1.79
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 119105633
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
4-iodo-3-[(1-phenylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 166396641
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid?
The IUPAC name of 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid (CID 66622606) is 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid is O=C(O)c1ccc(N2CCC(NC(=O)c3cccnc3)C2)cc1.
What is the InChIKey of 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid?
The InChIKey is LRHOCMJNBRAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(13-2-1-8-18-10-13)19-14-7-9-20(11-14)15-5-3-12(4-6-15)17(22)23/h1-6,8,10,14H,7,9,11H2,(H,19,21)(H,22,23).
What are the key properties of 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid?
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid has a molecular weight of 311.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 66622606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).