N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide

C19H24N2O3 — CID 50956008

IUPACN,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2OCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-13(2)12-24-17-8-6-5-7-15(17)11-21(4)19(23)16-9-14(3)20-18(22)10-16/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyFVWIUCJSHNZTAW-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.99
Rot. Bonds6

About N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide

N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 50956008) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID50956008
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2OCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-13(2)12-24-17-8-6-5-7-15(17)11-21(4)19(23)16-9-14(3)20-18(22)10-16/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyFVWIUCJSHNZTAW-UHFFFAOYSA-N
XLogP2.99
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide (CID 50956008) is N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2OCC(C)C)cc(=O)[nH]1.
What is the InChIKey of N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is FVWIUCJSHNZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)12-24-17-8-6-5-7-15(17)11-21(4)19(23)16-9-14(3)20-18(22)10-16/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 50956008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).