N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride

C15H21ClIN3O — CID 24797317

IUPACN-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cc2cc(I)ccc2[nH]1.Cl
InChIInChI=1S/C15H20IN3O.ClH/c1-3-19(4-2)8-7-17-15(20)14-10-11-9-12(16)5-6-13(11)18-14;/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,20);1H
InChIKeyZTRCLSBFDZRMNT-UHFFFAOYSA-N
MW421.71 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride (PubChem CID 24797317) has the molecular formula C15H21ClIN3O and a molecular weight of 421.71 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
PubChem CID24797317
Molecular FormulaC15H21ClIN3O
Molecular Weight421.71 g/mol
Exact Mass421.04
IUPAC NameN-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cc2cc(I)ccc2[nH]1.Cl
InChIInChI=1S/C15H20IN3O.ClH/c1-3-19(4-2)8-7-17-15(20)14-10-11-9-12(16)5-6-13(11)18-14;/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,20);1H
InChIKeyZTRCLSBFDZRMNT-UHFFFAOYSA-N
XLogP3.27
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide
CID 148642803
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride
CID 157235603
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride (CID 24797317) is N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride is CCN(CC)CCNC(=O)c1cc2cc(I)ccc2[nH]1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is ZTRCLSBFDZRMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O.ClH/c1-3-19(4-2)8-7-17-15(20)14-10-11-9-12(16)5-6-13(11)18-14;/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,20);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 421.71 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 24797317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).