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

C8H12N2O — CID 89001652

IUPACN-ethyl-1,2-dihydropyridine-3-carboxamide
SMILESCCNC(=O)C1=CC=CNC1
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyQOVYIRAANORLAU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.17
Rot. Bonds2

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

N-ethyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 89001652) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-ethyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,2-dihydropyridine-3-carboxamide
PubChem CID89001652
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-ethyl-1,2-dihydropyridine-3-carboxamide
SMILESCCNC(=O)C1=CC=CNC1
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyQOVYIRAANORLAU-UHFFFAOYSA-N
XLogP0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N-ethyl-1,2-dihydropyridine-3-carboxamide (CID 89001652) is N-ethyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N-ethyl-1,2-dihydropyridine-3-carboxamide is CCNC(=O)C1=CC=CNC1.
What is the InChIKey of N-ethyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is QOVYIRAANORLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-5,9H,2,6H2,1H3,(H,10,11).
What are the key properties of N-ethyl-1,2-dihydropyridine-3-carboxamide?
N-ethyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 89001652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).