N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide

C9H14N2O — CID 134406297

IUPACN-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide
SMILESCC1=CC=C(N(C)C=O)CN1C
InChIInChI=1S/C9H14N2O/c1-8-4-5-9(6-10(8)2)11(3)7-12/h4-5,7H,6H2,1-3H3
InChIKeyYJKFQYWRHMCFQA-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.81
Rot. Bonds2

About N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide

N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide (PubChem CID 134406297) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide
PubChem CID134406297
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide
SMILESCC1=CC=C(N(C)C=O)CN1C
InChIInChI=1S/C9H14N2O/c1-8-4-5-9(6-10(8)2)11(3)7-12/h4-5,7H,6H2,1-3H3
InChIKeyYJKFQYWRHMCFQA-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide?
The IUPAC name of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide (CID 134406297) is N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide.
What is the SMILES notation for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide?
The canonical SMILES for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide is CC1=CC=C(N(C)C=O)CN1C.
What is the InChIKey of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide?
The InChIKey is YJKFQYWRHMCFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-4-5-9(6-10(8)2)11(3)7-12/h4-5,7H,6H2,1-3H3.
What are the key properties of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide?
N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide has a molecular weight of 166.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-methylformamide is sourced from PubChem (CID 134406297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).