N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide

C8H9N3O — CID 87888728

IUPACN-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide
SMILESN#CCNC(=O)C1C=CC=NC1
InChIInChI=1S/C8H9N3O/c9-3-5-11-8(12)7-2-1-4-10-6-7/h1-2,4,7H,5-6H2,(H,11,12)
InChIKeyLCRVTBCFUQAZNH-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.12
Rot. Bonds2

About N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide

N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide (PubChem CID 87888728) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide
PubChem CID87888728
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC NameN-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide
SMILESN#CCNC(=O)C1C=CC=NC1
InChIInChI=1S/C8H9N3O/c9-3-5-11-8(12)7-2-1-4-10-6-7/h1-2,4,7H,5-6H2,(H,11,12)
InChIKeyLCRVTBCFUQAZNH-UHFFFAOYSA-N
XLogP-0.12
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2,3-dihydropyridine-3-carboxamide
CID 69523409
n-Propyldihydronicotinamide
CID 129632151
2-oxo-N-(2,2,2-trifluoroethyl)-3H-pyridine-3-carboxamide
CID 75118052
N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide
CID 69327973
N-ethyl-2,5-dihydropyridine-5-carboxamide
CID 91444132
3-(2,3-Dihydropyridine-3-carbonylamino)propanoic acid
CID 173207482
N-cyclobutyl-2-oxo-3H-pyridine-3-carboxamide
CID 168004565
N-(cyanomethyl)-1,2,3,6-tetrahydropyridine-3-carboxamide
CID 170754700

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide (CID 87888728) is N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide is N#CCNC(=O)C1C=CC=NC1.
What is the InChIKey of N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide?
The InChIKey is LCRVTBCFUQAZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-3-5-11-8(12)7-2-1-4-10-6-7/h1-2,4,7H,5-6H2,(H,11,12).
What are the key properties of N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide?
N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide has a molecular weight of 163.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 87888728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).