N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide

C17H21IN2O — CID 24797314

IUPACN-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2cc(I)ccc2c1
InChIInChI=1S/C17H21IN2O/c1-3-20(4-2)10-9-19-17(21)15-6-5-14-12-16(18)8-7-13(14)11-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyLWASXVVCOXTYBN-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide

N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide (PubChem CID 24797314) has the molecular formula C17H21IN2O and a molecular weight of 396.27 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
PubChem CID24797314
Molecular FormulaC17H21IN2O
Molecular Weight396.27 g/mol
Exact Mass396.07
IUPAC NameN-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2cc(I)ccc2c1
InChIInChI=1S/C17H21IN2O/c1-3-20(4-2)10-9-19-17(21)15-6-5-14-12-16(18)8-7-13(14)11-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyLWASXVVCOXTYBN-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(diethylamino)ethyl]-6-iodonaphthalene-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

4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
CID 24797317
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
CID 107019684
(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate
CID 123934164
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide (CID 24797314) is N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide is CCN(CC)CCNC(=O)c1ccc2cc(I)ccc2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide?
The InChIKey is LWASXVVCOXTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2O/c1-3-20(4-2)10-9-19-17(21)15-6-5-14-12-16(18)8-7-13(14)11-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide?
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide is sourced from PubChem (CID 24797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).