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

C15H23Cl2N5O — CID 70216341

IUPACN-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
SMILESCN(C)CCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-20(2)9-5-8-17-15(16)19-14(21)13-10-11-6-3-4-7-12(11)18-13;;/h3-4,6-7,10,18H,5,8-9H2,1-2H3,(H3,16,17,19,21);2*1H
InChIKeyURVHYWZTWQDZMN-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.01
Rot. Bonds5

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

N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 70216341) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
PubChem CID70216341
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC NameN-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
SMILESCN(C)CCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-20(2)9-5-8-17-15(16)19-14(21)13-10-11-6-3-4-7-12(11)18-13;;/h3-4,6-7,10,18H,5,8-9H2,1-2H3,(H3,16,17,19,21);2*1H
InChIKeyURVHYWZTWQDZMN-UHFFFAOYSA-N
XLogP2.01
TPSA86.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
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'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216346
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213587
N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 67645013
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;hydrochloride
CID 142650473
3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propanoic acid
CID 67645669
tert-butyl N-[3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propyl]carbamate;hydrochloride
CID 70216919
N-[N'-(2-phenylethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 70215864
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-(N'-benzylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 22097838
(1H-indole-2-carbonylamino)thiourea
CID 15483527
4-chloro-N-[N'-(3-hydroxypropyl)carbamimidoyl]-1H-indole-2-carboxamide;hydrochloride
CID 70214924
N-(N-butyl-N-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 174285992

Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride (CID 70216341) is N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride is CN(C)CCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is URVHYWZTWQDZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-20(2)9-5-8-17-15(16)19-14(21)13-10-11-6-3-4-7-12(11)18-13;;/h3-4,6-7,10,18H,5,8-9H2,1-2H3,(H3,16,17,19,21);2*1H.
What are the key properties of N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride?
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 70216341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).