4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide

C17H21N3O2 — CID 70761609

IUPAC4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCCc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c1-12-11-13(2)20-17(22)15(12)16(21)19-10-6-4-8-14-7-3-5-9-18-14/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQXXMRPRYBZPPDS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.14
Rot. Bonds6

About 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide

4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide (PubChem CID 70761609) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
PubChem CID70761609
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCCc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c1-12-11-13(2)20-17(22)15(12)16(21)19-10-6-4-8-14-7-3-5-9-18-14/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQXXMRPRYBZPPDS-UHFFFAOYSA-N
XLogP2.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.14
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

MS 857
CID 129517
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
Phenatine
CID 120640
Medorinone
CID 5362132
1',2',3',6'-Tetrahydro-2,4'-bipyridine
CID 15166842
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803
10-Undecenamide, N-(4-pyridylmethyl)-
CID 294304
1,2-Dihydro-1-(2-(2-pyridyl)-ethyl)-3,6-pyridazinedione
CID 265886
1,3'-bipyridinium, 1'-(3-(dimethylamino)propyl)-6'-hydroxy-4'-methyl-2'-oxo-, inner salt
CID 14669967
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyridylmethyl)-1H-pyridin-2-one
CID 486868
4-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 836345

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide (CID 70761609) is 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCCCCc2ccccn2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide?
The InChIKey is QXXMRPRYBZPPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-11-13(2)20-17(22)15(12)16(21)19-10-6-4-8-14-7-3-5-9-18-14/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70761609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).