3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

C15H19N3O — CID 61209338

IUPAC3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H19N3O/c1-18(2)8-7-17-15(19)13-9-11-5-3-4-6-12(11)10-14(13)16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyGRXUNBPOSDTCCE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.71
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide (PubChem CID 61209338) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
PubChem CID61209338
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H19N3O/c1-18(2)8-7-17-15(19)13-9-11-5-3-4-6-12(11)10-14(13)16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyGRXUNBPOSDTCCE-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid
CID 54612865

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide (CID 61209338) is 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide is CN(C)CCNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The InChIKey is GRXUNBPOSDTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)8-7-17-15(19)13-9-11-5-3-4-6-12(11)10-14(13)16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 61209338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).