N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide

C21H14N4O — CID 168849728

IUPACN-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide
SMILES[C-]#[N+]c1cc(NC(=O)c2ccc3c(ccn3-c3ccccc3)c2)ccn1
InChIInChI=1S/C21H14N4O/c1-22-20-14-17(9-11-23-20)24-21(26)16-7-8-19-15(13-16)10-12-25(19)18-5-3-2-4-6-18/h2-14H,(H,23,24,26)
InChIKeyMCFOOXAISSLQNH-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.83
Rot. Bonds3

About N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide

N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide (PubChem CID 168849728) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide
PubChem CID168849728
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC NameN-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide
SMILES[C-]#[N+]c1cc(NC(=O)c2ccc3c(ccn3-c3ccccc3)c2)ccn1
InChIInChI=1S/C21H14N4O/c1-22-20-14-17(9-11-23-20)24-21(26)16-7-8-19-15(13-16)10-12-25(19)18-5-3-2-4-6-18/h2-14H,(H,23,24,26)
InChIKeyMCFOOXAISSLQNH-UHFFFAOYSA-N
XLogP4.83
TPSA51.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(5-benzamidoindol-1-yl)-N-methylpyridine-2-carboxamide
CID 162675882
4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide
CID 162654880
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
2-(1-methylindol-5-yl)-N-phenylpyridine-4-carboxamide
CID 117089782
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840026
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]indol-5-yl]benzamide
CID 86674028
1-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 165056065
(E)-3-(1-phenylindol-5-yl)prop-2-enoic acid
CID 68517943
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831

Frequently Asked Questions

What is the IUPAC name of N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide?
The IUPAC name of N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide (CID 168849728) is N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide.
What is the SMILES notation for N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide?
The canonical SMILES for N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide is [C-]#[N+]c1cc(NC(=O)c2ccc3c(ccn3-c3ccccc3)c2)ccn1.
What is the InChIKey of N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide?
The InChIKey is MCFOOXAISSLQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-22-20-14-17(9-11-23-20)24-21(26)16-7-8-19-15(13-16)10-12-25(19)18-5-3-2-4-6-18/h2-14H,(H,23,24,26).
What are the key properties of N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide?
N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide is sourced from PubChem (CID 168849728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).