N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide

C12H16N2O2 — CID 168957468

IUPACN-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CC2)nc1C
InChIInChI=1S/C12H16N2O2/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12/h3-4,15H,5-7H2,1-2H3,(H,14,16)
InChIKeyHDUXYTXTRJYSBN-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.95
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (PubChem CID 168957468) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
PubChem CID168957468
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CC2)nc1C
InChIInChI=1S/C12H16N2O2/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12/h3-4,15H,5-7H2,1-2H3,(H,14,16)
InChIKeyHDUXYTXTRJYSBN-UHFFFAOYSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (CID 168957468) is N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is Cc1ccc(C(=O)NC2(CO)CC2)nc1C.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The InChIKey is HDUXYTXTRJYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12/h3-4,15H,5-7H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 168957468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).