(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide

C8H12N2O — CID 70224369

IUPAC(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CC=CC=N1
InChIInChI=1S/C8H12N2O/c1-2-9-8(11)7-5-3-4-6-10-7/h3-4,6-7H,2,5H2,1H3,(H,9,11)/t7-/m0/s1
InChIKeyRYGUVARNGAKFQY-ZETCQYMHSA-N
MW152.20 g/mol
LogP0.52
Rot. Bonds2

About (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide

(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide (PubChem CID 70224369) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
PubChem CID70224369
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CC=CC=N1
InChIInChI=1S/C8H12N2O/c1-2-9-8(11)7-5-3-4-6-10-7/h3-4,6-7H,2,5H2,1H3,(H,9,11)/t7-/m0/s1
InChIKeyRYGUVARNGAKFQY-ZETCQYMHSA-N
XLogP0.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide (CID 70224369) is (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide is CCNC(=O)[C@@H]1CC=CC=N1.
What is the InChIKey of (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide?
The InChIKey is RYGUVARNGAKFQY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-9-8(11)7-5-3-4-6-10-7/h3-4,6-7H,2,5H2,1H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide?
(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide is sourced from PubChem (CID 70224369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).