2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C15H16N2O2 — CID 154875992

IUPAC2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cccc(CO)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-6-16-9-14(11)17-15(19)8-12-3-2-4-13(7-12)10-18/h2-7,9,18H,8,10H2,1H3,(H,17,19)
InChIKeyBTQSJDQNHQXQTK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds4

About 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 154875992) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID154875992
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cccc(CO)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-6-16-9-14(11)17-15(19)8-12-3-2-4-13(7-12)10-18/h2-7,9,18H,8,10H2,1H3,(H,17,19)
InChIKeyBTQSJDQNHQXQTK-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide
CID 83164175
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
N-(4-methyl-3-pyridinyl)-5-oxohexanamide
CID 75455735
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
3-amino-2-benzyl-N-(4-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 63327676

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 154875992) is 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is BTQSJDQNHQXQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-6-16-9-14(11)17-15(19)8-12-3-2-4-13(7-12)10-18/h2-7,9,18H,8,10H2,1H3,(H,17,19).
What are the key properties of 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 154875992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).