2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid

C17H16N2O3 — CID 155910539

IUPAC2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(C(=O)NC3CC3)ccn2)c1
InChIInChI=1S/C17H16N2O3/c20-16(21)9-11-2-1-3-12(8-11)15-10-13(6-7-18-15)17(22)19-14-4-5-14/h1-3,6-8,10,14H,4-5,9H2,(H,19,22)(H,20,21)
InChIKeyLKMSFLWQSJLYHG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.27
Rot. Bonds5

About 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid

2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid (PubChem CID 155910539) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
PubChem CID155910539
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(C(=O)NC3CC3)ccn2)c1
InChIInChI=1S/C17H16N2O3/c20-16(21)9-11-2-1-3-12(8-11)15-10-13(6-7-18-15)17(22)19-14-4-5-14/h1-3,6-8,10,14H,4-5,9H2,(H,19,22)(H,20,21)
InChIKeyLKMSFLWQSJLYHG-UHFFFAOYSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 121497473
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid
CID 166284878
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
2-[3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetic acid
CID 57382783
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid (CID 155910539) is 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cc(C(=O)NC3CC3)ccn2)c1.
What is the InChIKey of 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid?
The InChIKey is LKMSFLWQSJLYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(21)9-11-2-1-3-12(8-11)15-10-13(6-7-18-15)17(22)19-14-4-5-14/h1-3,6-8,10,14H,4-5,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid?
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid has a molecular weight of 296.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid is sourced from PubChem (CID 155910539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).