(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide

C12H18N2O2 — CID 95276418

IUPAC(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide
SMILESCC(C)[C@@H](C)CC(=O)Nc1ncccc1O
InChIInChI=1S/C12H18N2O2/c1-8(2)9(3)7-11(16)14-12-10(15)5-4-6-13-12/h4-6,8-9,15H,7H2,1-3H3,(H,13,14,16)/t9-/m0/s1
InChIKeyKDGRIDAMZGUNIO-VIFPVBQESA-N
MW222.29 g/mol
LogP2.41
Rot. Bonds4

About (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide

(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide (PubChem CID 95276418) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide.

Molecular Properties

Compound Name(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide
PubChem CID95276418
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide
SMILESCC(C)[C@@H](C)CC(=O)Nc1ncccc1O
InChIInChI=1S/C12H18N2O2/c1-8(2)9(3)7-11(16)14-12-10(15)5-4-6-13-12/h4-6,8-9,15H,7H2,1-3H3,(H,13,14,16)/t9-/m0/s1
InChIKeyKDGRIDAMZGUNIO-VIFPVBQESA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 103630280
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea
CID 14006930
N-(3-hydroxy-2-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 18109430
2-(2-chlorophenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109429
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109298
2-(cyclopropylamino)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 115976290
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
N-(3-hydroxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 110462769

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide?
The IUPAC name of (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide (CID 95276418) is (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide.
What is the SMILES notation for (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide?
The canonical SMILES for (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide is CC(C)[C@@H](C)CC(=O)Nc1ncccc1O.
What is the InChIKey of (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide?
The InChIKey is KDGRIDAMZGUNIO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)9(3)7-11(16)14-12-10(15)5-4-6-13-12/h4-6,8-9,15H,7H2,1-3H3,(H,13,14,16)/t9-/m0/s1.
What are the key properties of (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide?
(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide has a molecular weight of 222.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide is sourced from PubChem (CID 95276418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).