N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

C15H21N3O2 — CID 128790662

IUPACN-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCn1cccc(NC(=O)N2CCC(C)=C(C)C2)c1=O
InChIInChI=1S/C15H21N3O2/c1-4-17-8-5-6-13(14(17)19)16-15(20)18-9-7-11(2)12(3)10-18/h5-6,8H,4,7,9-10H2,1-3H3,(H,16,20)
InChIKeyROSZZRWLOWSQKV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.44
Rot. Bonds2

About N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 128790662) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID128790662
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCn1cccc(NC(=O)N2CCC(C)=C(C)C2)c1=O
InChIInChI=1S/C15H21N3O2/c1-4-17-8-5-6-13(14(17)19)16-15(20)18-9-7-11(2)12(3)10-18/h5-6,8H,4,7,9-10H2,1-3H3,(H,16,20)
InChIKeyROSZZRWLOWSQKV-UHFFFAOYSA-N
XLogP2.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 128790662) is N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is CCn1cccc(NC(=O)N2CCC(C)=C(C)C2)c1=O.
What is the InChIKey of N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ROSZZRWLOWSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-17-8-5-6-13(14(17)19)16-15(20)18-9-7-11(2)12(3)10-18/h5-6,8H,4,7,9-10H2,1-3H3,(H,16,20).
What are the key properties of N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 128790662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).