4-(hydroxymethyl)-5-methylpyridine-2-carboxamide

C8H10N2O2 — CID 163653918

IUPAC4-(hydroxymethyl)-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(N)=O)cc1CO
InChIInChI=1S/C8H10N2O2/c1-5-3-10-7(8(9)12)2-6(5)4-11/h2-3,11H,4H2,1H3,(H2,9,12)
InChIKeyIOOFPEBRBXNMKX-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.02
Rot. Bonds2

About 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide

4-(hydroxymethyl)-5-methylpyridine-2-carboxamide (PubChem CID 163653918) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methylpyridine-2-carboxamide
PubChem CID163653918
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-(hydroxymethyl)-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(N)=O)cc1CO
InChIInChI=1S/C8H10N2O2/c1-5-3-10-7(8(9)12)2-6(5)4-11/h2-3,11H,4H2,1H3,(H2,9,12)
InChIKeyIOOFPEBRBXNMKX-UHFFFAOYSA-N
XLogP-0.02
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide (CID 163653918) is 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide is Cc1cnc(C(N)=O)cc1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide?
The InChIKey is IOOFPEBRBXNMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-10-7(8(9)12)2-6(5)4-11/h2-3,11H,4H2,1H3,(H2,9,12).
What are the key properties of 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide?
4-(hydroxymethyl)-5-methylpyridine-2-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 163653918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).