N-ethyl-2,5-dihydropyridine-5-carboxamide

C8H12N2O — CID 91444132

IUPACN-ethyl-2,5-dihydropyridine-5-carboxamide
SMILESCCNC(=O)C1C=CCN=C1
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-4,6-7H,2,5H2,1H3,(H,10,11)
InChIKeyNVKKBOHJMBIGKT-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.38
Rot. Bonds2

About N-ethyl-2,5-dihydropyridine-5-carboxamide

N-ethyl-2,5-dihydropyridine-5-carboxamide (PubChem CID 91444132) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-ethyl-2,5-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,5-dihydropyridine-5-carboxamide
PubChem CID91444132
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-ethyl-2,5-dihydropyridine-5-carboxamide
SMILESCCNC(=O)C1C=CCN=C1
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-4,6-7H,2,5H2,1H3,(H,10,11)
InChIKeyNVKKBOHJMBIGKT-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2,3-dihydropyridine-3-carboxamide
CID 69523409
N-methyl-6-oxo-3H-pyridine-3-carboxamide
CID 78169459
n-Propyldihydronicotinamide
CID 129632151
N-methyl-2,5-dihydropyridine-5-carboxamide
CID 56627304
N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide
CID 69327973
N-(cyanomethyl)-2,3-dihydropyridine-3-carboxamide
CID 87888728
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide
CID 123635276
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide
CID 123709616
N-(2,3-dihydropyridin-4-ylmethyl)acetamide
CID 138478321
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
CID 143514853
(3Z)-2,4,6-trimethyl-N-[(Z)-5-methyliminopent-3-enyl]hepta-3,5-dienamide
CID 145560749
N-(3,4-dihydropyridin-4-yl)-2-methylpropanamide
CID 169572270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dihydropyridine-5-carboxamide?
The IUPAC name of N-ethyl-2,5-dihydropyridine-5-carboxamide (CID 91444132) is N-ethyl-2,5-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-ethyl-2,5-dihydropyridine-5-carboxamide?
The canonical SMILES for N-ethyl-2,5-dihydropyridine-5-carboxamide is CCNC(=O)C1C=CCN=C1.
What is the InChIKey of N-ethyl-2,5-dihydropyridine-5-carboxamide?
The InChIKey is NVKKBOHJMBIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-4,6-7H,2,5H2,1H3,(H,10,11).
What are the key properties of N-ethyl-2,5-dihydropyridine-5-carboxamide?
N-ethyl-2,5-dihydropyridine-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dihydropyridine-5-carboxamide is sourced from PubChem (CID 91444132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).