N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C23H18N4O3 — CID 10200871

IUPACN-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccc[n+]([O-])c3)c2)c2ncccc2c1=O
InChIInChI=1S/C23H18N4O3/c28-21-19-7-2-10-24-22(19)27(14-20(21)23(29)25-17-8-9-17)18-6-1-4-15(12-18)16-5-3-11-26(30)13-16/h1-7,10-14,17H,8-9H2,(H,25,29)
InChIKeyAKWVYLGAPNUWLP-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.58
Rot. Bonds4

About N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10200871) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10200871
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccc[n+]([O-])c3)c2)c2ncccc2c1=O
InChIInChI=1S/C23H18N4O3/c28-21-19-7-2-10-24-22(19)27(14-20(21)23(29)25-17-8-9-17)18-6-1-4-15(12-18)16-5-3-11-26(30)13-16/h1-7,10-14,17H,8-9H2,(H,25,29)
InChIKeyAKWVYLGAPNUWLP-UHFFFAOYSA-N
XLogP2.58
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91318440
N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10136385
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10139185
trans-(1R,2R)-2-[3-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 69158736
2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]acetic acid
CID 70317544
cis-(1R,2S)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 10412173
ethyl 4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]benzoate
CID 69158388
N-cyclopropyl-1-[3-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 142186918
N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
CID 10206050
1-[3-[4-(3-acetyl-1-bicyclo[1.1.1]pentanyl)phenyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70345467

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10200871) is N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(-c3ccc[n+]([O-])c3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AKWVYLGAPNUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-21-19-7-2-10-24-22(19)27(14-20(21)23(29)25-17-8-9-17)18-6-1-4-15(12-18)16-5-3-11-26(30)13-16/h1-7,10-14,17H,8-9H2,(H,25,29).
What are the key properties of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10200871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).