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

C18H16BrN3O2 — CID 12991318

IUPAC1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C18H16BrN3O2/c1-11(2)21-18(24)15-10-22(13-6-3-5-12(19)9-13)17-14(16(15)23)7-4-8-20-17/h3-11H,1-2H3,(H,21,24)
InChIKeyYJSFOXRIOGEQKP-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.29
Rot. Bonds3

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

1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 12991318) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID12991318
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C18H16BrN3O2/c1-11(2)21-18(24)15-10-22(13-6-3-5-12(19)9-13)17-14(16(15)23)7-4-8-20-17/h3-11H,1-2H3,(H,21,24)
InChIKeyYJSFOXRIOGEQKP-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
CID 172761635
1-[3-(4-acetylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 10113183
1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 154815157
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
[(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-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 175802382
ethyl 1-(3-ethynylphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11659719
N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide
CID 10362759

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 12991318) is 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)NC(=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-carboxamide?
The InChIKey is YJSFOXRIOGEQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11(2)21-18(24)15-10-22(13-6-3-5-12(19)9-13)17-14(16(15)23)7-4-8-20-17/h3-11H,1-2H3,(H,21,24).
What are the key properties of 1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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-carboxamide is sourced from PubChem (CID 12991318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).