N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C25H23N3O3 — CID 142186918

IUPACN-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(C3=CCC(CO)C=C3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H23N3O3/c29-15-16-6-8-17(9-7-16)18-3-1-4-20(13-18)28-14-22(25(31)27-19-10-11-19)23(30)21-5-2-12-26-24(21)28/h1-6,8-9,12-14,16,19,29H,7,10-11,15H2,(H,27,31)
InChIKeyZRVSNJPLFXYXDV-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.23
Rot. Bonds5

About N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 142186918) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID142186918
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(C3=CCC(CO)C=C3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H23N3O3/c29-15-16-6-8-17(9-7-16)18-3-1-4-20(13-18)28-14-22(25(31)27-19-10-11-19)23(30)21-5-2-12-26-24(21)28/h1-6,8-9,12-14,16,19,29H,7,10-11,15H2,(H,27,31)
InChIKeyZRVSNJPLFXYXDV-UHFFFAOYSA-N
XLogP3.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Mk-0873
CID 9919680
MK-0952
CID 11755033
3-[4-[3-[3-(Cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]-3-methylbutanoic acid
CID 9869820
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
2-[4-[3-[3-(Cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 10027487
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
3-[4-[3-[3-(Cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]-2,2-dimethylpropanoic acid
CID 10254618
N-Isopropyl-1-[3-(4-methylthiophenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274246
2-[3-[3-[3-(Cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 11754228
2-[4-[3-[4-Oxo-3-(2,2,2-trifluoroethylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 56662929
2-[4-[3-[3-(Cyclobutylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 56662930
trans-(1S,2S)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 56673307

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 142186918) is N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(C3=CCC(CO)C=C3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZRVSNJPLFXYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-15-16-6-8-17(9-7-16)18-3-1-4-20(13-18)28-14-22(25(31)27-19-10-11-19)23(30)21-5-2-12-26-24(21)28/h1-6,8-9,12-14,16,19,29H,7,10-11,15H2,(H,27,31).
What are the key properties of N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 142186918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).