N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride

C12H15ClN4O — CID 67661934

IUPACN-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
SMILESCC/N=C(\N)NC(=O)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-2-14-12(13)16-11(17)9-7-15-10-6-4-3-5-8(9)10;/h3-7,15H,2H2,1H3,(H3,13,14,16,17);1H
InChIKeyQPWGIHGFNSEYAV-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.65
Rot. Bonds2

About N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride

N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride (PubChem CID 67661934) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
PubChem CID67661934
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC NameN-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
SMILESCC/N=C(\N)NC(=O)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-2-14-12(13)16-11(17)9-7-15-10-6-4-3-5-8(9)10;/h3-7,15H,2H2,1H3,(H3,13,14,16,17);1H
InChIKeyQPWGIHGFNSEYAV-UHFFFAOYSA-N
XLogP1.65
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
CID 67645011
N-[N'-[(4-aminophenyl)methyl]carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
CID 70216929
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[N'-[2-(oxan-2-yloxy)ethyl]carbamimidoyl]-1H-indole-3-carboxamide
CID 70216262
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700

Frequently Asked Questions

What is the IUPAC name of N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride (CID 67661934) is N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride is CC/N=C(\N)NC(=O)c1c[nH]c2ccccc12.Cl.
What is the InChIKey of N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is QPWGIHGFNSEYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c1-2-14-12(13)16-11(17)9-7-15-10-6-4-3-5-8(9)10;/h3-7,15H,2H2,1H3,(H3,13,14,16,17);1H.
What are the key properties of N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride?
N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 67661934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).