2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide

C13H17N3O5 — CID 106825881

IUPAC2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1OC1CCC(CO)CC1
InChIInChI=1S/C13H17N3O5/c14-12(18)11-5-9(16(19)20)6-15-13(11)21-10-3-1-8(7-17)2-4-10/h5-6,8,10,17H,1-4,7H2,(H2,14,18)
InChIKeyAXCVHQRJYXKMGW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide

2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide (PubChem CID 106825881) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide
PubChem CID106825881
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1OC1CCC(CO)CC1
InChIInChI=1S/C13H17N3O5/c14-12(18)11-5-9(16(19)20)6-15-13(11)21-10-3-1-8(7-17)2-4-10/h5-6,8,10,17H,1-4,7H2,(H2,14,18)
InChIKeyAXCVHQRJYXKMGW-UHFFFAOYSA-N
XLogP1.02
TPSA128.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.02
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

2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carbonitrile
CID 106825880
5-nitro-2-(2-piperidin-3-ylethoxy)pyridine-3-carboxamide
CID 62358030
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
2-[(6-methylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carboxamide
CID 102634953
2-[4-(hydroxymethyl)cyclohexyl]oxy-3-nitropyridine-4-carbonitrile
CID 106825859
4-[(3-methoxy-5-nitro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
CID 58231059
2-(cyclopropylmethyl)-5-nitrobenzene-1,3-dicarboxamide
CID 175326898
methyl 4-[(3-fluoro-5-nitro-2-pyridinyl)oxy]cyclohexane-1-carboxylate
CID 58230921
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
5-nitro-2-piperidin-4-yloxybenzamide
CID 62342062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide (CID 106825881) is 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1OC1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide?
The InChIKey is AXCVHQRJYXKMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c14-12(18)11-5-9(16(19)20)6-15-13(11)21-10-3-1-8(7-17)2-4-10/h5-6,8,10,17H,1-4,7H2,(H2,14,18).
What are the key properties of 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide?
2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 106825881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).