5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

C23H19N5O — CID 109193546

IUPAC5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nc2)c1
InChIInChI=1S/C23H19N5O/c24-13-16-4-3-5-18(12-16)28-19-8-9-22(27-15-19)23(29)25-11-10-17-14-26-21-7-2-1-6-20(17)21/h1-9,12,14-15,26,28H,10-11H2,(H,25,29)
InChIKeyRMGORFORTJGRDC-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.15
Rot. Bonds6

About 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109193546) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID109193546
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nc2)c1
InChIInChI=1S/C23H19N5O/c24-13-16-4-3-5-18(12-16)28-19-8-9-22(27-15-19)23(29)25-11-10-17-14-26-21-7-2-1-6-20(17)21/h1-9,12,14-15,26,28H,10-11H2,(H,25,29)
InChIKeyRMGORFORTJGRDC-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

5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide
CID 86699438
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188238
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 109193546) is 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nc2)c1.
What is the InChIKey of 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is RMGORFORTJGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c24-13-16-4-3-5-18(12-16)28-19-8-9-22(27-15-19)23(29)25-11-10-17-14-26-21-7-2-1-6-20(17)21/h1-9,12,14-15,26,28H,10-11H2,(H,25,29).
What are the key properties of 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-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 5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109193546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).