2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid

C14H13N5O4 — CID 166335394

IUPAC2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2CC(=O)Nc3ncccc32)n1
InChIInChI=1S/C14H13N5O4/c20-11-6-9(8-2-1-4-15-13(8)17-11)14(23)16-10-3-5-19(18-10)7-12(21)22/h1-5,9H,6-7H2,(H,21,22)(H,15,17,20)(H,16,18,23)
InChIKeyLBDORNUKSNNIOB-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.43
Rot. Bonds4

About 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 166335394) has the molecular formula C14H13N5O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID166335394
Molecular FormulaC14H13N5O4
Molecular Weight315.29 g/mol
Exact Mass315.10
IUPAC Name2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2CC(=O)Nc3ncccc32)n1
InChIInChI=1S/C14H13N5O4/c20-11-6-9(8-2-1-4-15-13(8)17-11)14(23)16-10-3-5-19(18-10)7-12(21)22/h1-5,9H,6-7H2,(H,21,22)(H,15,17,20)(H,16,18,23)
InChIKeyLBDORNUKSNNIOB-UHFFFAOYSA-N
XLogP0.43
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 166335394) is 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)C2CC(=O)Nc3ncccc32)n1.
What is the InChIKey of 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is LBDORNUKSNNIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4/c20-11-6-9(8-2-1-4-15-13(8)17-11)14(23)16-10-3-5-19(18-10)7-12(21)22/h1-5,9H,6-7H2,(H,21,22)(H,15,17,20)(H,16,18,23).
What are the key properties of 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 315.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 166335394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).