4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide

C17H21N3O2 — CID 121498886

IUPAC4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCCc2ccccn2)c(C)c1C
InChIInChI=1S/C17H21N3O2/c1-11-12(2)15(17(22)20-13(11)3)16(21)19-10-6-8-14-7-4-5-9-18-14/h4-5,7,9H,6,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyHVXGHOOPZZLVNU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds5

About 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide

4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide (PubChem CID 121498886) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
PubChem CID121498886
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCCc2ccccn2)c(C)c1C
InChIInChI=1S/C17H21N3O2/c1-11-12(2)15(17(22)20-13(11)3)16(21)19-10-6-8-14-7-4-5-9-18-14/h4-5,7,9H,6,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyHVXGHOOPZZLVNU-UHFFFAOYSA-N
XLogP2.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-[2-(1H-imidazol-2-yl)ethyl]-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122564999
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46964091
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide (CID 121498886) is 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCCCc2ccccn2)c(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
The InChIKey is HVXGHOOPZZLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-12(2)15(17(22)20-13(11)3)16(21)19-10-6-8-14-7-4-5-9-18-14/h4-5,7,9H,6,8,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121498886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).