N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide

C12H17N3O4 — CID 109478731

IUPACN-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
SMILESCCC(CCO)NC(=O)c1cc([N+](=O)[O-])cnc1C
InChIInChI=1S/C12H17N3O4/c1-3-9(4-5-16)14-12(17)11-6-10(15(18)19)7-13-8(11)2/h6-7,9,16H,3-5H2,1-2H3,(H,14,17)
InChIKeyCODCEUQHUXKGME-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.19
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide

N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide (PubChem CID 109478731) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
PubChem CID109478731
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
SMILESCCC(CCO)NC(=O)c1cc([N+](=O)[O-])cnc1C
InChIInChI=1S/C12H17N3O4/c1-3-9(4-5-16)14-12(17)11-6-10(15(18)19)7-13-8(11)2/h6-7,9,16H,3-5H2,1-2H3,(H,14,17)
InChIKeyCODCEUQHUXKGME-UHFFFAOYSA-N
XLogP1.19
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.19
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

(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 119370336
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046856
2-methyl-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75376448
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 120535703
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
CID 47291156
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
2-chloro-5-nitro-N-pent-1-yn-3-ylpyridine-3-carboxamide
CID 106228673
2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
CID 21405400
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide (CID 109478731) is N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide is CCC(CCO)NC(=O)c1cc([N+](=O)[O-])cnc1C.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is CODCEUQHUXKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-9(4-5-16)14-12(17)11-6-10(15(18)19)7-13-8(11)2/h6-7,9,16H,3-5H2,1-2H3,(H,14,17).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide?
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 109478731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).