3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide

C15H15N3O — CID 61207818

IUPAC3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(CCC#N)C(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H15N3O/c1-18(8-4-7-16)15(19)13-9-11-5-2-3-6-12(11)10-14(13)17/h2-3,5-6,9-10H,4,8,17H2,1H3
InChIKeyKHBPPDGITZGTRN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.41
Rot. Bonds3

About 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide

3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 61207818) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
PubChem CID61207818
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(CCC#N)C(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H15N3O/c1-18(8-4-7-16)15(19)13-9-11-5-2-3-6-12(11)10-14(13)17/h2-3,5-6,9-10H,4,8,17H2,1H3
InChIKeyKHBPPDGITZGTRN-UHFFFAOYSA-N
XLogP2.41
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-cyanoethyl)-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

2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
CID 63377285
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 63965273
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8017896
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 60609840
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
CID 103892231
N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 78796865
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
2-chloro-N-(2-cyanoethyl)-N-methyl-5-sulfanylbenzamide
CID 107021427
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide (CID 61207818) is 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide is CN(CCC#N)C(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is KHBPPDGITZGTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(8-4-7-16)15(19)13-9-11-5-2-3-6-12(11)10-14(13)17/h2-3,5-6,9-10H,4,8,17H2,1H3.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide?
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 61207818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).