2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid

C17H14N4O5 — CID 54739165

IUPAC2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccnc3)nc21
InChIInChI=1S/C17H14N4O5/c1-21-15-10(4-5-11(20-15)9-3-2-6-18-7-9)14(24)13(17(21)26)16(25)19-8-12(22)23/h2-7,24H,8H2,1H3,(H,19,25)(H,22,23)
InChIKeyWSKFHFKKXWLVSR-UHFFFAOYSA-N
MW354.32 g/mol
LogP0.52
Rot. Bonds4

About 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid (PubChem CID 54739165) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
PubChem CID54739165
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccnc3)nc21
InChIInChI=1S/C17H14N4O5/c1-21-15-10(4-5-11(20-15)9-3-2-6-18-7-9)14(24)13(17(21)26)16(25)19-8-12(22)23/h2-7,24H,8H2,1H3,(H,19,25)(H,22,23)
InChIKeyWSKFHFKKXWLVSR-UHFFFAOYSA-N
XLogP0.52
TPSA134.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid (CID 54739165) is 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccnc3)nc21.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The InChIKey is WSKFHFKKXWLVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-21-15-10(4-5-11(20-15)9-3-2-6-18-7-9)14(24)13(17(21)26)16(25)19-8-12(22)23/h2-7,24H,8H2,1H3,(H,19,25)(H,22,23).
What are the key properties of 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid has a molecular weight of 354.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-2-oxo-7-pyridin-3-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54739165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).