N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide

C13H20N2O2 — CID 59412065

IUPACN-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide
SMILESCCC(C)(C)CONC(=O)c1cccnc1C
InChIInChI=1S/C13H20N2O2/c1-5-13(3,4)9-17-15-12(16)11-7-6-8-14-10(11)2/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyBDHDFNNQXDKKJM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.49
Rot. Bonds5

About N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide

N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide (PubChem CID 59412065) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide
PubChem CID59412065
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide
SMILESCCC(C)(C)CONC(=O)c1cccnc1C
InChIInChI=1S/C13H20N2O2/c1-5-13(3,4)9-17-15-12(16)11-7-6-8-14-10(11)2/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyBDHDFNNQXDKKJM-UHFFFAOYSA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methylpyridine-3-carboxamide
CID 107867796
2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 115429550
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide (CID 59412065) is N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide is CCC(C)(C)CONC(=O)c1cccnc1C.
What is the InChIKey of N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide?
The InChIKey is BDHDFNNQXDKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-13(3,4)9-17-15-12(16)11-7-6-8-14-10(11)2/h6-8H,5,9H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide?
N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutoxy)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 59412065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).