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

C26H24N4O4 — CID 10115236

IUPACN-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc[n+]1[O-]
InChIInChI=1S/C26H24N4O4/c1-26(2,33)22-14-17(10-12-30(22)34)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29/h3-7,10-15,18,33H,8-9H2,1-2H3,(H,28,32)
InChIKeyWVKIQRXOCVRLKE-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.81
Rot. Bonds5

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

N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10115236) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10115236
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc[n+]1[O-]
InChIInChI=1S/C26H24N4O4/c1-26(2,33)22-14-17(10-12-30(22)34)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29/h3-7,10-15,18,33H,8-9H2,1-2H3,(H,28,32)
InChIKeyWVKIQRXOCVRLKE-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10115236) is N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc[n+]1[O-].
What is the InChIKey of N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WVKIQRXOCVRLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-26(2,33)22-14-17(10-12-30(22)34)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29/h3-7,10-15,18,33H,8-9H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-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-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10115236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).