N,N-diethyl-1,2-dihydropyridine-3-carboxamide

C10H16N2O — CID 166919316

IUPACN,N-diethyl-1,2-dihydropyridine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CNC1
InChIInChI=1S/C10H16N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-7,11H,3-4,8H2,1-2H3
InChIKeyADBGNQWXVBMIIL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.90
Rot. Bonds3

About N,N-diethyl-1,2-dihydropyridine-3-carboxamide

N,N-diethyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 166919316) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-diethyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,2-dihydropyridine-3-carboxamide
PubChem CID166919316
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN,N-diethyl-1,2-dihydropyridine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CNC1
InChIInChI=1S/C10H16N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-7,11H,3-4,8H2,1-2H3
InChIKeyADBGNQWXVBMIIL-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-1,2-dihydropyridine-3-carboxamide (CID 166919316) is N,N-diethyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1,2-dihydropyridine-3-carboxamide is CCN(CC)C(=O)C1=CC=CNC1.
What is the InChIKey of N,N-diethyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is ADBGNQWXVBMIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-7,11H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-1,2-dihydropyridine-3-carboxamide?
N,N-diethyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 166919316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).