5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide

C23H19N5O — CID 54425705

IUPAC5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESN#Cc1cccc(Cn2c(C(=O)NCc3ccncc3)cc3cc(N)ccc32)c1
InChIInChI=1S/C23H19N5O/c24-13-17-2-1-3-18(10-17)15-28-21-5-4-20(25)11-19(21)12-22(28)23(29)27-14-16-6-8-26-9-7-16/h1-12H,14-15,25H2,(H,27,29)
InChIKeyWDXPFGATWHSPNF-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.47
Rot. Bonds5

About 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide

5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 54425705) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID54425705
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESN#Cc1cccc(Cn2c(C(=O)NCc3ccncc3)cc3cc(N)ccc32)c1
InChIInChI=1S/C23H19N5O/c24-13-17-2-1-3-18(10-17)15-28-21-5-4-20(25)11-19(21)12-22(28)23(29)27-14-16-6-8-26-9-7-16/h1-12H,14-15,25H2,(H,27,29)
InChIKeyWDXPFGATWHSPNF-UHFFFAOYSA-N
XLogP3.47
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[[[1-[(3-cyanophenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-ethyl-dimethylazanium
CID 11734475
[4-[[[1-[(3-cyanophenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-ethyl-dimethylazanium iodide
CID 18327657
[4-[[[5-chloro-1-[(3-cyanophenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 11734499
[4-[[[1-[(3-cyanophenyl)methyl]-4-methylindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 11038924
1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
CID 10950077
1-[(3-cyanophenyl)methyl]indole-2-carboxamide
CID 11832625
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide
CID 10949866
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55115826

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 54425705) is 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide is N#Cc1cccc(Cn2c(C(=O)NCc3ccncc3)cc3cc(N)ccc32)c1.
What is the InChIKey of 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is WDXPFGATWHSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c24-13-17-2-1-3-18(10-17)15-28-21-5-4-20(25)11-19(21)12-22(28)23(29)27-14-16-6-8-26-9-7-16/h1-12H,14-15,25H2,(H,27,29).
What are the key properties of 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 54425705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).