N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride

C12H16ClN5O — CID 67645011

IUPACN-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
SMILESCl.NCC/N=C(\N)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15N5O.ClH/c13-5-6-15-12(14)17-11(18)9-7-16-10-4-2-1-3-8(9)10;/h1-4,7,16H,5-6,13H2,(H3,14,15,17,18);1H
InChIKeyLPFBFXLXXKNIIW-UHFFFAOYSA-N
MW281.75 g/mol
LogP0.59
Rot. Bonds3

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

N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride (PubChem CID 67645011) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
PubChem CID67645011
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC NameN-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
SMILESCl.NCC/N=C(\N)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15N5O.ClH/c13-5-6-15-12(14)17-11(18)9-7-16-10-4-2-1-3-8(9)10;/h1-4,7,16H,5-6,13H2,(H3,14,15,17,18);1H
InChIKeyLPFBFXLXXKNIIW-UHFFFAOYSA-N
XLogP0.59
TPSA109.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
CID 67661934
N-[N'-[(4-aminophenyl)methyl]carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
CID 70216929
N-[N'-[2-(oxan-2-yloxy)ethyl]carbamimidoyl]-1H-indole-3-carboxamide
CID 70216262
4-chloro-N-[N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 2950550
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
4-amino-2-(1H-indole-3-carbonylamino)-4-oxobutanoic acid
CID 24702715
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175

Frequently Asked Questions

What is the IUPAC name of N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride (CID 67645011) is N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride is Cl.NCC/N=C(\N)NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is LPFBFXLXXKNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.ClH/c13-5-6-15-12(14)17-11(18)9-7-16-10-4-2-1-3-8(9)10;/h1-4,7,16H,5-6,13H2,(H3,14,15,17,18);1H.
What are the key properties of N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride?
N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 281.75 g/mol, XLogP of 0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 67645011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).