2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid

C18H18N2O3 — CID 120517497

IUPAC2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
SMILESCc1cccc(-c2cncc(C(=O)N(CC(=O)O)C3CC3)c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-3-2-4-13(7-12)14-8-15(10-19-9-14)18(23)20(11-17(21)22)16-5-6-16/h2-4,7-10,16H,5-6,11H2,1H3,(H,21,22)
InChIKeyZUTVENHCJGANQX-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds5

About 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid

2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 120517497) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
PubChem CID120517497
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
SMILESCc1cccc(-c2cncc(C(=O)N(CC(=O)O)C3CC3)c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-3-2-4-13(7-12)14-8-15(10-19-9-14)18(23)20(11-17(21)22)16-5-6-16/h2-4,7-10,16H,5-6,11H2,1H3,(H,21,22)
InChIKeyZUTVENHCJGANQX-UHFFFAOYSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid (CID 120517497) is 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid is Cc1cccc(-c2cncc(C(=O)N(CC(=O)O)C3CC3)c2)c1.
What is the InChIKey of 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is ZUTVENHCJGANQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-3-2-4-13(7-12)14-8-15(10-19-9-14)18(23)20(11-17(21)22)16-5-6-16/h2-4,7-10,16H,5-6,11H2,1H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid?
2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 120517497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).