N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C26H24N4O4 — CID 10139185

IUPACN-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)[n+]([O-])c1
InChIInChI=1S/C26H24N4O4/c1-26(2,33)17-8-11-22(30(34)14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-9-10-18)23(31)20-7-4-12-27-24(20)29/h3-8,11-15,18,33H,9-10H2,1-2H3,(H,28,32)
InChIKeyOZRWFFRBEPNBNU-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.81
Rot. Bonds5

About N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10139185) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10139185
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)[n+]([O-])c1
InChIInChI=1S/C26H24N4O4/c1-26(2,33)17-8-11-22(30(34)14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-9-10-18)23(31)20-7-4-12-27-24(20)29/h3-8,11-15,18,33H,9-10H2,1-2H3,(H,28,32)
InChIKeyOZRWFFRBEPNBNU-UHFFFAOYSA-N
XLogP2.81
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10136385
N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10200871
N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91318440
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
ethyl 4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]benzoate
CID 69158388
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
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
(2R)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]butanoic acid
CID 70316680

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 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) is N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)[n+]([O-])c1.
What is the InChIKey of N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OZRWFFRBEPNBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-26(2,33)17-8-11-22(30(34)14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-9-10-18)23(31)20-7-4-12-27-24(20)29/h3-8,11-15,18,33H,9-10H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10139185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).