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

C14H22N2O2 — CID 168957527

IUPACethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCC.Cc1ccc(C(=O)NC2(CO)CC2)nc1C
InChIInChI=1S/C12H16N2O2.C2H6/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12;1-2/h3-4,15H,5-7H2,1-2H3,(H,14,16);1-2H3
InChIKeyAFRLTNOSXDFDBV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds3

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

ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (PubChem CID 168957527) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
PubChem CID168957527
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCC.Cc1ccc(C(=O)NC2(CO)CC2)nc1C
InChIInChI=1S/C12H16N2O2.C2H6/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12;1-2/h3-4,15H,5-7H2,1-2H3,(H,14,16);1-2H3
InChIKeyAFRLTNOSXDFDBV-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957468
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957386
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
N-[1-(hydroxymethyl)cyclopropyl]-3-methylfuran-2-carboxamide
CID 115764587
6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 103881191
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The IUPAC name of ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (CID 168957527) is ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is CC.Cc1ccc(C(=O)NC2(CO)CC2)nc1C.
What is the InChIKey of ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The InChIKey is AFRLTNOSXDFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12;1-2/h3-4,15H,5-7H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 168957527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).