N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide

C16H12F2N4O3 — CID 137247195

IUPACN-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide
SMILES[H]/N=C1\c2cccnc2N(O)C(=O)C1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,12,19,25H,7H2,(H,21,23)/b19-13+
InChIKeyKQQAEMXQZXBXSU-CPNJWEJPSA-N
MW346.29 g/mol
LogP1.40
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 137247195) has the molecular formula C16H12F2N4O3 and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID137247195
Molecular FormulaC16H12F2N4O3
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide
SMILES[H]/N=C1\c2cccnc2N(O)C(=O)C1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,12,19,25H,7H2,(H,21,23)/b19-13+
InChIKeyKQQAEMXQZXBXSU-CPNJWEJPSA-N
XLogP1.40
TPSA106.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide (CID 137247195) is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide is [H]/N=C1\c2cccnc2N(O)C(=O)C1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KQQAEMXQZXBXSU-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,12,19,25H,7H2,(H,21,23)/b19-13+.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-imino-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137247195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).