N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide

C20H19N3O2 — CID 162670116

IUPACN-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide
SMILESCN(CC(=O)NCc1ccncc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O2/c1-23(14-19(24)22-13-15-8-10-21-11-9-15)20(25)18-7-6-16-4-2-3-5-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyUVCROKPQSTYXSQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide

N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide (PubChem CID 162670116) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide
PubChem CID162670116
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide
SMILESCN(CC(=O)NCc1ccncc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O2/c1-23(14-19(24)22-13-15-8-10-21-11-9-15)20(25)18-7-6-16-4-2-3-5-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyUVCROKPQSTYXSQ-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
[methyl-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]carbamoyl] 3-phenylpropaneperoxoate
CID 56985373
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
CID 108946043
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113161978

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide (CID 162670116) is N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide is CN(CC(=O)NCc1ccncc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide?
The InChIKey is UVCROKPQSTYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(14-19(24)22-13-15-8-10-21-11-9-15)20(25)18-7-6-16-4-2-3-5-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide?
N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 162670116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).