1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide

C18H17BrN4O2 — CID 172761635

IUPAC1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
SMILESCC(C)NNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C18H17BrN4O2/c1-11(2)21-22-18(25)15-10-23(13-6-3-5-12(19)9-13)17-14(16(15)24)7-4-8-20-17/h3-11,21H,1-2H3,(H,22,25)
InChIKeyLTOQATQEQJBKES-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide

1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide (PubChem CID 172761635) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
PubChem CID172761635
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
SMILESCC(C)NNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C18H17BrN4O2/c1-11(2)21-22-18(25)15-10-23(13-6-3-5-12(19)9-13)17-14(16(15)24)7-4-8-20-17/h3-11,21H,1-2H3,(H,22,25)
InChIKeyLTOQATQEQJBKES-UHFFFAOYSA-N
XLogP2.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 12991318
1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 154815157
1-[3-(4-acetylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 10113183
1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 70011978
1-[3-[2-(1-oxidopyridin-1-ium-4-yl)ethynyl]phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 10180698
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
[(Z)-1-[4-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]phenyl]ethylideneamino]oxidanium
CID 142186915
1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 10226614
1-[3-(7-methyl-2-oxido-1λ3-ioda-2-azacyclohepta-3,5,7-trien-4-yl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 163943033
N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide
CID 10362759
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70011543

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide?
The IUPAC name of 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide (CID 172761635) is 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide.
What is the SMILES notation for 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide?
The canonical SMILES for 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide is CC(C)NNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O.
What is the InChIKey of 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide?
The InChIKey is LTOQATQEQJBKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-11(2)21-22-18(25)15-10-23(13-6-3-5-12(19)9-13)17-14(16(15)24)7-4-8-20-17/h3-11,21H,1-2H3,(H,22,25).
What are the key properties of 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide?
1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide has a molecular weight of 401.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide is sourced from PubChem (CID 172761635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).