N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide

C16H16N2O — CID 47205391

IUPACN-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-12(10-17)11-18(2)16(19)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,11H2,1-2H3
InChIKeyNKRJWEKHALFHOZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide

N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 47205391) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
PubChem CID47205391
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-12(10-17)11-18(2)16(19)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,11H2,1-2H3
InChIKeyNKRJWEKHALFHOZ-UHFFFAOYSA-N
XLogP3.07
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 47402323
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
N-(3-amino-2-methylpropyl)-N-methylnaphthalene-2-carboxamide
CID 54992388
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
4-(bromomethyl)-N-(2-cyanopropyl)-N-methylbenzamide
CID 102851359
N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide
CID 95048192
3-[(2-cyanophenyl)methoxy]-N-[(2S)-2-cyanopropyl]-N-methylbenzamide
CID 94783638
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide (CID 47205391) is N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide is CC(C#N)CN(C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is NKRJWEKHALFHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(10-17)11-18(2)16(19)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide?
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 47205391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).