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

C11H18N2O — CID 134406826

IUPACN-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide
SMILESCCCN(C=O)C1=CC=C(C)N(C)C1
InChIInChI=1S/C11H18N2O/c1-4-7-13(9-14)11-6-5-10(2)12(3)8-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyVLYZTDLYAQGDPT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.59
Rot. Bonds4

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

N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide (PubChem CID 134406826) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide.

Molecular Properties

Compound NameN-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide
PubChem CID134406826
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide
SMILESCCCN(C=O)C1=CC=C(C)N(C)C1
InChIInChI=1S/C11H18N2O/c1-4-7-13(9-14)11-6-5-10(2)12(3)8-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyVLYZTDLYAQGDPT-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.59
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-propylformamide?
The IUPAC name of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide (CID 134406826) is N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide.
What is the SMILES notation for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide?
The canonical SMILES for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide is CCCN(C=O)C1=CC=C(C)N(C)C1.
What is the InChIKey of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide?
The InChIKey is VLYZTDLYAQGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-13(9-14)11-6-5-10(2)12(3)8-11/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide?
N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylformamide has a molecular weight of 194.28 g/mol, XLogP of 1.59, 4 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-propylformamide is sourced from PubChem (CID 134406826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).