N-(4-cyanophenyl)-1H-indole-2-carboxamide

C16H11N3O — CID 26699443

IUPACN-(4-cyanophenyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H11N3O/c17-10-11-5-7-13(8-6-11)18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,(H,18,20)
InChIKeySLTYPHDBYTYYBP-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.29
Rot. Bonds2

About N-(4-cyanophenyl)-1H-indole-2-carboxamide

N-(4-cyanophenyl)-1H-indole-2-carboxamide (PubChem CID 26699443) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1H-indole-2-carboxamide
PubChem CID26699443
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC NameN-(4-cyanophenyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H11N3O/c17-10-11-5-7-13(8-6-11)18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,(H,18,20)
InChIKeySLTYPHDBYTYYBP-UHFFFAOYSA-N
XLogP3.29
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
CID 127035500
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1H-indole-2-carboxamide (CID 26699443) is N-(4-cyanophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1H-indole-2-carboxamide is N#Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The InChIKey is SLTYPHDBYTYYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-10-11-5-7-13(8-6-11)18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-1H-indole-2-carboxamide?
N-(4-cyanophenyl)-1H-indole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 26699443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).