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

C6H8N2O — CID 91204264

IUPAC(2S)-2,3-dihydropyridine-2-carboxamide
SMILESNC(=O)[C@@H]1CC=CC=N1
InChIInChI=1S/C6H8N2O/c7-6(9)5-3-1-2-4-8-5/h1-2,4-5H,3H2,(H2,7,9)/t5-/m0/s1
InChIKeyTYUKUQPKPYLYSW-YFKPBYRVSA-N
MW124.14 g/mol
LogP-0.13
Rot. Bonds1

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

(2S)-2,3-dihydropyridine-2-carboxamide (PubChem CID 91204264) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (2S)-2,3-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2,3-dihydropyridine-2-carboxamide
PubChem CID91204264
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(2S)-2,3-dihydropyridine-2-carboxamide
SMILESNC(=O)[C@@H]1CC=CC=N1
InChIInChI=1S/C6H8N2O/c7-6(9)5-3-1-2-4-8-5/h1-2,4-5H,3H2,(H2,7,9)/t5-/m0/s1
InChIKeyTYUKUQPKPYLYSW-YFKPBYRVSA-N
XLogP-0.13
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dihydropyridine-2-carboxamide?
The IUPAC name of (2S)-2,3-dihydropyridine-2-carboxamide (CID 91204264) is (2S)-2,3-dihydropyridine-2-carboxamide.
What is the SMILES notation for (2S)-2,3-dihydropyridine-2-carboxamide?
The canonical SMILES for (2S)-2,3-dihydropyridine-2-carboxamide is NC(=O)[C@@H]1CC=CC=N1.
What is the InChIKey of (2S)-2,3-dihydropyridine-2-carboxamide?
The InChIKey is TYUKUQPKPYLYSW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)5-3-1-2-4-8-5/h1-2,4-5H,3H2,(H2,7,9)/t5-/m0/s1.
What are the key properties of (2S)-2,3-dihydropyridine-2-carboxamide?
(2S)-2,3-dihydropyridine-2-carboxamide has a molecular weight of 124.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dihydropyridine-2-carboxamide is sourced from PubChem (CID 91204264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).