5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide

C15H20N4O4 — CID 133377744

IUPAC5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H20N4O4/c16-13(20)12-7-11(19(21)22)9-17-14(12)18-10-3-6-23-15(8-10)4-1-2-5-15/h7,9-10H,1-6,8H2,(H2,16,20)(H,17,18)
InChIKeyYPIGDKPHDWCENZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.99
Rot. Bonds4

About 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide

5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide (PubChem CID 133377744) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
PubChem CID133377744
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H20N4O4/c16-13(20)12-7-11(19(21)22)9-17-14(12)18-10-3-6-23-15(8-10)4-1-2-5-15/h7,9-10H,1-6,8H2,(H2,16,20)(H,17,18)
InChIKeyYPIGDKPHDWCENZ-UHFFFAOYSA-N
XLogP1.99
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133377795
3-chloro-5-nitro-N-(1-oxaspiro[5.5]undecan-4-yl)pyridin-2-amine
CID 133378045
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 71910094
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
N-(2,4-dinitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133378052
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide (CID 133377744) is 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCOC2(CCCC2)C1.
What is the InChIKey of 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
The InChIKey is YPIGDKPHDWCENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c16-13(20)12-7-11(19(21)22)9-17-14(12)18-10-3-6-23-15(8-10)4-1-2-5-15/h7,9-10H,1-6,8H2,(H2,16,20)(H,17,18).
What are the key properties of 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide?
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 133377744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).