6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole

C14H11N6O+ — CID 71700628

IUPAC6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole
SMILESN#[N+]Nc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cn1
InChIInChI=1S/C14H10N6O/c15-20-19-13-4-2-10(8-17-13)14(21)18-11-3-1-9-5-6-16-12(9)7-11/h1-8,15H,(H,17,19,21)/p+1
InChIKeyRLLLBPURSHWXNK-UHFFFAOYSA-O
MW279.28 g/mol
LogP3.00
Rot. Bonds3

About 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole

6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole (PubChem CID 71700628) has the molecular formula C14H11N6O+ and a molecular weight of 279.28 g/mol. Its IUPAC name is 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole.

Molecular Properties

Compound Name6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole
PubChem CID71700628
Molecular FormulaC14H11N6O+
Molecular Weight279.28 g/mol
Exact Mass279.10
IUPAC Name6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole
SMILESN#[N+]Nc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cn1
InChIInChI=1S/C14H10N6O/c15-20-19-13-4-2-10(8-17-13)14(21)18-11-3-1-9-5-6-16-12(9)7-11/h1-8,15H,(H,17,19,21)/p+1
InChIKeyRLLLBPURSHWXNK-UHFFFAOYSA-O
XLogP3.00
TPSA97.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
CID 19058101
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
CID 118227108
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
N-(1H-indol-6-yl)-4-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 25225465
N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 67686907
6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 66940812
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole?
The IUPAC name of 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole (CID 71700628) is 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole.
What is the SMILES notation for 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole?
The canonical SMILES for 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole is N#[N+]Nc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cn1.
What is the InChIKey of 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole?
The InChIKey is RLLLBPURSHWXNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10N6O/c15-20-19-13-4-2-10(8-17-13)14(21)18-11-3-1-9-5-6-16-12(9)7-11/h1-8,15H,(H,17,19,21)/p+1.
What are the key properties of 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole?
6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole has a molecular weight of 279.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole is sourced from PubChem (CID 71700628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).