N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride

C13H19Cl2N5O — CID 70216346

IUPACN-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H17N5O.2ClH/c14-6-3-7-16-13(15)18-12(19)11-8-9-4-1-2-5-10(9)17-11;;/h1-2,4-5,8,17H,3,6-7,14H2,(H3,15,16,18,19);2*1H
InChIKeyJFUMSNHXSYMBCT-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.40
Rot. Bonds4

About N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride

N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 70216346) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
PubChem CID70216346
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC NameN-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H17N5O.2ClH/c14-6-3-7-16-13(15)18-12(19)11-8-9-4-1-2-5-10(9)17-11;;/h1-2,4-5,8,17H,3,6-7,14H2,(H3,15,16,18,19);2*1H
InChIKeyJFUMSNHXSYMBCT-UHFFFAOYSA-N
XLogP1.40
TPSA109.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 67645013
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216341
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213587
3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propanoic acid
CID 67645669
N-[N'-(2-phenylethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 70215864
N-(N'-benzylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 22097838
tert-butyl N-[3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propyl]carbamate;hydrochloride
CID 70216919
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-[N'-(3-aminopropyl)carbamimidoyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;hydrochloride
CID 67846222
4-chloro-N-[N'-(3-hydroxypropyl)carbamimidoyl]-1H-indole-2-carboxamide;hydrochloride
CID 70214924
(1H-indole-2-carbonylamino)thiourea
CID 15483527
N-[2-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 42625306

Frequently Asked Questions

What is the IUPAC name of N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride (CID 70216346) is N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride is Cl.Cl.NCCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is JFUMSNHXSYMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c14-6-3-7-16-13(15)18-12(19)11-8-9-4-1-2-5-10(9)17-11;;/h1-2,4-5,8,17H,3,6-7,14H2,(H3,15,16,18,19);2*1H.
What are the key properties of N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 70216346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).