N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide

C12H18N2O2 — CID 106753439

IUPACN-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCCO)ccn1
InChIInChI=1S/C12H18N2O2/c1-9(4-3-7-15)14-12(16)11-5-6-13-10(2)8-11/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyVLWSXFBJFAUKBY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds5

About N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide

N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide (PubChem CID 106753439) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
PubChem CID106753439
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCCO)ccn1
InChIInChI=1S/C12H18N2O2/c1-9(4-3-7-15)14-12(16)11-5-6-13-10(2)8-11/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyVLWSXFBJFAUKBY-UHFFFAOYSA-N
XLogP1.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753662
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide (CID 106753439) is N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)CCCO)ccn1.
What is the InChIKey of N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide?
The InChIKey is VLWSXFBJFAUKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(4-3-7-15)14-12(16)11-5-6-13-10(2)8-11/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide?
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).