N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide

C11H16N2O2 — CID 115283439

IUPACN-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)CCO
InChIInChI=1S/C11H16N2O2/c1-8-4-3-6-12-10(8)11(15)13-9(2)5-7-14/h3-4,6,9,14H,5,7H2,1-2H3,(H,13,15)
InChIKeyOXGMAJANIWGNQV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.89
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide

N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide (PubChem CID 115283439) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
PubChem CID115283439
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)CCO
InChIInChI=1S/C11H16N2O2/c1-8-4-3-6-12-10(8)11(15)13-9(2)5-7-14/h3-4,6,9,14H,5,7H2,1-2H3,(H,13,15)
InChIKeyOXGMAJANIWGNQV-UHFFFAOYSA-N
XLogP0.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide (CID 115283439) is N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is OXGMAJANIWGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-4-3-6-12-10(8)11(15)13-9(2)5-7-14/h3-4,6,9,14H,5,7H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide?
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 115283439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).