N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide

C12H18N2O2 — CID 65034246

IUPACN-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)CO)c(C)n1
InChIInChI=1S/C12H18N2O2/c1-8(7-15)6-13-12(16)11-5-4-9(2)14-10(11)3/h4-5,8,15H,6-7H2,1-3H3,(H,13,16)
InChIKeyNRLWBXPOISUXBD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 65034246) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID65034246
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)CO)c(C)n1
InChIInChI=1S/C12H18N2O2/c1-8(7-15)6-13-12(16)11-5-4-9(2)14-10(11)3/h4-5,8,15H,6-7H2,1-3H3,(H,13,16)
InChIKeyNRLWBXPOISUXBD-UHFFFAOYSA-N
XLogP1.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 115364657
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide (CID 65034246) is N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)CO)c(C)n1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is NRLWBXPOISUXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(7-15)6-13-12(16)11-5-4-9(2)14-10(11)3/h4-5,8,15H,6-7H2,1-3H3,(H,13,16).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 65034246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).