N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide

C12H18N2O3 — CID 107148243

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)NCC(C)(O)CO
InChIInChI=1S/C12H18N2O3/c1-9-4-3-5-13-10(9)6-11(16)14-7-12(2,17)8-15/h3-5,15,17H,6-8H2,1-2H3,(H,14,16)
InChIKeyPOZPINNKRDNUMQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.21
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148243) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148243
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)NCC(C)(O)CO
InChIInChI=1S/C12H18N2O3/c1-9-4-3-5-13-10(9)6-11(16)14-7-12(2,17)8-15/h3-5,15,17H,6-8H2,1-2H3,(H,14,16)
InChIKeyPOZPINNKRDNUMQ-UHFFFAOYSA-N
XLogP-0.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
CID 107147232
N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148270
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148548
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide (CID 107148243) is N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1CC(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is POZPINNKRDNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-4-3-5-13-10(9)6-11(16)14-7-12(2,17)8-15/h3-5,15,17H,6-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).