N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide

C9H12N2O — CID 69327973

IUPACN-prop-2-enyl-2,3-dihydropyridine-3-carboxamide
SMILESC=CCNC(=O)C1C=CC=NC1
InChIInChI=1S/C9H12N2O/c1-2-5-11-9(12)8-4-3-6-10-7-8/h2-4,6,8H,1,5,7H2,(H,11,12)
InChIKeyZGMKIOICTQOIHV-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.55
Rot. Bonds3

About N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide

N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide (PubChem CID 69327973) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2,3-dihydropyridine-3-carboxamide
PubChem CID69327973
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-prop-2-enyl-2,3-dihydropyridine-3-carboxamide
SMILESC=CCNC(=O)C1C=CC=NC1
InChIInChI=1S/C9H12N2O/c1-2-5-11-9(12)8-4-3-6-10-7-8/h2-4,6,8H,1,5,7H2,(H,11,12)
InChIKeyZGMKIOICTQOIHV-UHFFFAOYSA-N
XLogP0.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide (CID 69327973) is N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide is C=CCNC(=O)C1C=CC=NC1.
What is the InChIKey of N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide?
The InChIKey is ZGMKIOICTQOIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-5-11-9(12)8-4-3-6-10-7-8/h2-4,6,8H,1,5,7H2,(H,11,12).
What are the key properties of N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide?
N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 69327973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).