1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide

C16H14N6O — CID 163898338

IUPAC1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
SMILES[H]/N=N/N=C(N)c1ccc(-n2cc(C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N6O/c17-15(20-21-19)10-5-7-11(8-6-10)22-9-13(16(18)23)12-3-1-2-4-14(12)22/h1-9H,(H2,18,23)(H3,17,19,20)
InChIKeyQHQGIZLQNVULAG-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide

1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide (PubChem CID 163898338) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
PubChem CID163898338
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
SMILES[H]/N=N/N=C(N)c1ccc(-n2cc(C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N6O/c17-15(20-21-19)10-5-7-11(8-6-10)22-9-13(16(18)23)12-3-1-2-4-14(12)22/h1-9H,(H2,18,23)(H3,17,19,20)
InChIKeyQHQGIZLQNVULAG-UHFFFAOYSA-N
XLogP2.38
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
CID 144937847
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
1-(4-chlorobenzoyl)indole-3-carboxamide
CID 91690434
1-(1,2-thiazol-5-yl)indole-3-carboxamide
CID 140692971
acetic acid;ethane;4-(3-heptanimidoylindol-1-yl)aniline
CID 145376529
N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
CID 142911278
4-(3-cyanoindol-1-yl)-2-hydroxybenzamide
CID 141458608
ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
CID 118142028
4-indol-1-ylbenzamide
CID 10879114
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
1-(2-bromobenzoyl)indole-3-carboxamide
CID 91690367

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide?
The IUPAC name of 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide (CID 163898338) is 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide?
The canonical SMILES for 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide is [H]/N=N/N=C(N)c1ccc(-n2cc(C(N)=O)c3ccccc32)cc1.
What is the InChIKey of 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide?
The InChIKey is QHQGIZLQNVULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-15(20-21-19)10-5-7-11(8-6-10)22-9-13(16(18)23)12-3-1-2-4-14(12)22/h1-9H,(H2,18,23)(H3,17,19,20).
What are the key properties of 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide?
1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide is sourced from PubChem (CID 163898338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).