N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide

C13H16N4O — CID 70213587

IUPACN-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESCCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H16N4O/c1-2-7-15-13(14)17-12(18)11-8-9-5-3-4-6-10(9)16-11/h3-6,8,16H,2,7H2,1H3,(H3,14,15,17,18)
InChIKeyNVXATLSUQNQVQW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.62
Rot. Bonds3

About N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide

N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide (PubChem CID 70213587) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
PubChem CID70213587
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESCCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H16N4O/c1-2-7-15-13(14)17-12(18)11-8-9-5-3-4-6-10(9)16-11/h3-6,8,16H,2,7H2,1H3,(H3,14,15,17,18)
InChIKeyNVXATLSUQNQVQW-UHFFFAOYSA-N
XLogP1.62
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.62
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-2-carboxamide
CID 67645013
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'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216346
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216341
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-bromo-N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097827
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
(1H-indole-2-carbonylamino)thiourea
CID 15483527
N-(N-butyl-N-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 174285992

Frequently Asked Questions

What is the IUPAC name of N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide (CID 70213587) is N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide is CCC/N=C(\N)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide?
The InChIKey is NVXATLSUQNQVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-7-15-13(14)17-12(18)11-8-9-5-3-4-6-10(9)16-11/h3-6,8,16H,2,7H2,1H3,(H3,14,15,17,18).
What are the key properties of N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide?
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70213587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).