N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide

C19H18N4O4 — CID 22162174

IUPACN-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1[N+](=O)[O-])C1(CCCCC1)C(=O)N2)c1cccnc1
InChIInChI=1S/C19H18N4O4/c24-17(12-5-4-8-20-11-12)21-15-10-14-13(9-16(15)23(26)27)19(18(25)22-14)6-2-1-3-7-19/h4-5,8-11H,1-3,6-7H2,(H,21,24)(H,22,25)
InChIKeyIVBDOKSXXUVPMF-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.40
Rot. Bonds3

About N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide

N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide (PubChem CID 22162174) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide
PubChem CID22162174
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1[N+](=O)[O-])C1(CCCCC1)C(=O)N2)c1cccnc1
InChIInChI=1S/C19H18N4O4/c24-17(12-5-4-8-20-11-12)21-15-10-14-13(9-16(15)23(26)27)19(18(25)22-14)6-2-1-3-7-19/h4-5,8-11H,1-3,6-7H2,(H,21,24)(H,22,25)
InChIKeyIVBDOKSXXUVPMF-UHFFFAOYSA-N
XLogP3.40
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
CID 22162186
N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
CID 22162132
methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
CID 22162218
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732
N-(3-nitro-4-piperazin-1-ylphenyl)pyridine-3-carboxamide
CID 28689186
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 70120337

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide (CID 22162174) is N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide is O=C(Nc1cc2c(cc1[N+](=O)[O-])C1(CCCCC1)C(=O)N2)c1cccnc1.
What is the InChIKey of N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide?
The InChIKey is IVBDOKSXXUVPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-17(12-5-4-8-20-11-12)21-15-10-14-13(9-16(15)23(26)27)19(18(25)22-14)6-2-1-3-7-19/h4-5,8-11H,1-3,6-7H2,(H,21,24)(H,22,25).
What are the key properties of N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide?
N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 22162174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).