N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C21H12Cl2N4O4 — CID 70011543

IUPACN-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O
InChIInChI=1S/C21H12Cl2N4O4/c22-16-7-2-8-17(23)18(16)25-21(29)15-11-26(12-4-1-5-13(10-12)27(30)31)20-14(19(15)28)6-3-9-24-20/h1-11H,(H,25,29)
InChIKeyBIKGZKMGHRRETO-UHFFFAOYSA-N
MW455.26 g/mol
LogP4.85
Rot. Bonds4

About N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 70011543) has the molecular formula C21H12Cl2N4O4 and a molecular weight of 455.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID70011543
Molecular FormulaC21H12Cl2N4O4
Molecular Weight455.26 g/mol
Exact Mass454.02
IUPAC NameN-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O
InChIInChI=1S/C21H12Cl2N4O4/c22-16-7-2-8-17(23)18(16)25-21(29)15-11-26(12-4-1-5-13(10-12)27(30)31)20-14(19(15)28)6-3-9-24-20/h1-11H,(H,25,29)
InChIKeyBIKGZKMGHRRETO-UHFFFAOYSA-N
XLogP4.85
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10206520
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
CID 70012845
1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
CID 172761635
N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10200871
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 10136016
N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91318440
2-chloro-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
CID 4045024
9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
CID 14423208

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 70011543) is N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is BIKGZKMGHRRETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N4O4/c22-16-7-2-8-17(23)18(16)25-21(29)15-11-26(12-4-1-5-13(10-12)27(30)31)20-14(19(15)28)6-3-9-24-20/h1-11H,(H,25,29).
What are the key properties of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 455.26 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 70011543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).