6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C23H19N5O — CID 109159767

IUPAC6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H19N5O/c24-13-16-5-1-3-7-20(16)28-22-10-9-18(15-27-22)23(29)25-12-11-17-14-26-21-8-4-2-6-19(17)21/h1-10,14-15,26H,11-12H2,(H,25,29)(H,27,28)
InChIKeyMJGUAFNQEOYGLL-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.15
Rot. Bonds6

About 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 109159767) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID109159767
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H19N5O/c24-13-16-5-1-3-7-20(16)28-22-10-9-18(15-27-22)23(29)25-12-11-17-14-26-21-8-4-2-6-19(17)21/h1-10,14-15,26H,11-12H2,(H,25,29)(H,27,28)
InChIKeyMJGUAFNQEOYGLL-UHFFFAOYSA-N
XLogP4.15
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886
N-(2-cyanophenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109173760
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 109159767) is 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is N#Cc1ccccc1Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MJGUAFNQEOYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c24-13-16-5-1-3-7-20(16)28-22-10-9-18(15-27-22)23(29)25-12-11-17-14-26-21-8-4-2-6-19(17)21/h1-10,14-15,26H,11-12H2,(H,25,29)(H,27,28).
What are the key properties of 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109159767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).