2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid

C18H14N2O4 — CID 91799222

IUPAC2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2cccc3ccccc23)ccc1O
InChIInChI=1S/C18H14N2O4/c21-15-9-8-14(20-17(15)18(24)19-10-16(22)23)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,21H,10H2,(H,19,24)(H,22,23)
InChIKeyCQPTZSBTFPQERZ-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.42
Rot. Bonds4

About 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid

2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid (PubChem CID 91799222) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid
PubChem CID91799222
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2cccc3ccccc23)ccc1O
InChIInChI=1S/C18H14N2O4/c21-15-9-8-14(20-17(15)18(24)19-10-16(22)23)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,21H,10H2,(H,19,24)(H,22,23)
InChIKeyCQPTZSBTFPQERZ-UHFFFAOYSA-N
XLogP2.42
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid (CID 91799222) is 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nc(-c2cccc3ccccc23)ccc1O.
What is the InChIKey of 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid?
The InChIKey is CQPTZSBTFPQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-15-9-8-14(20-17(15)18(24)19-10-16(22)23)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,21H,10H2,(H,19,24)(H,22,23).
What are the key properties of 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid?
2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid has a molecular weight of 322.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-6-naphthalen-1-ylpyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 91799222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).