1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C19H16BrN3O2 — CID 154815157

IUPAC1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C19H16BrN3O2/c20-13-3-1-4-14(9-13)23-11-16(19(25)22-10-12-6-7-12)17(24)15-5-2-8-21-18(15)23/h1-5,8-9,11-12H,6-7,10H2,(H,22,25)
InChIKeyYCFNLPKWRPTGTM-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 154815157) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID154815157
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C19H16BrN3O2/c20-13-3-1-4-14(9-13)23-11-16(19(25)22-10-12-6-7-12)17(24)15-5-2-8-21-18(15)23/h1-5,8-9,11-12H,6-7,10H2,(H,22,25)
InChIKeyYCFNLPKWRPTGTM-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
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-carboxamide
CID 12991318
1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
CID 172761635
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 138997330
2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]acetic acid
CID 70317544
trans-(1R,2R)-2-[3-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 69158736
cis-(1R,2S)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 10412173
N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 10136016
1-(3-bromophenyl)-N-cyclopropyl-4-oxopyrido[2,3-c]pyridazine-3-carboxamide
CID 118492322
N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91318440
N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10200871

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 154815157) is 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCC1CC1)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O.
What is the InChIKey of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is YCFNLPKWRPTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-13-3-1-4-14(9-13)23-11-16(19(25)22-10-12-6-7-12)17(24)15-5-2-8-21-18(15)23/h1-5,8-9,11-12H,6-7,10H2,(H,22,25).
What are the key properties of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(cyclopropylmethyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 154815157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).