N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide

C9H14N2O3 — CID 166919314

IUPACN-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide
SMILESO=C(NCC(O)CO)C1=CC=CNC1
InChIInChI=1S/C9H14N2O3/c12-6-8(13)5-11-9(14)7-2-1-3-10-4-7/h1-3,8,10,12-13H,4-6H2,(H,11,14)
InChIKeyAWZCSALQSSWQEY-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.50
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide

N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide (PubChem CID 166919314) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide
PubChem CID166919314
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide
SMILESO=C(NCC(O)CO)C1=CC=CNC1
InChIInChI=1S/C9H14N2O3/c12-6-8(13)5-11-9(14)7-2-1-3-10-4-7/h1-3,8,10,12-13H,4-6H2,(H,11,14)
InChIKeyAWZCSALQSSWQEY-UHFFFAOYSA-N
XLogP-1.50
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide (CID 166919314) is N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide is O=C(NCC(O)CO)C1=CC=CNC1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide?
The InChIKey is AWZCSALQSSWQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-6-8(13)5-11-9(14)7-2-1-3-10-4-7/h1-3,8,10,12-13H,4-6H2,(H,11,14).
What are the key properties of N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide?
N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide has a molecular weight of 198.22 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 166919314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).