1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide

C22H24ClN5O3 — CID 69084825

IUPAC1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
SMILESNC(=O)Cn1cc(C(=O)NCC(c2cccnc2)N2CCOCC2)c2c(Cl)cccc21
InChIInChI=1S/C22H24ClN5O3/c23-17-4-1-5-18-21(17)16(13-28(18)14-20(24)29)22(30)26-12-19(15-3-2-6-25-11-15)27-7-9-31-10-8-27/h1-6,11,13,19H,7-10,12,14H2,(H2,24,29)(H,26,30)
InChIKeyVGIKURXJIZVEHD-UHFFFAOYSA-N
MW441.92 g/mol
LogP1.98
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide

1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide (PubChem CID 69084825) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
PubChem CID69084825
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
SMILESNC(=O)Cn1cc(C(=O)NCC(c2cccnc2)N2CCOCC2)c2c(Cl)cccc21
InChIInChI=1S/C22H24ClN5O3/c23-17-4-1-5-18-21(17)16(13-28(18)14-20(24)29)22(30)26-12-19(15-3-2-6-25-11-15)27-7-9-31-10-8-27/h1-6,11,13,19H,7-10,12,14H2,(H2,24,29)(H,26,30)
InChIKeyVGIKURXJIZVEHD-UHFFFAOYSA-N
XLogP1.98
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide (CID 69084825) is 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide is NC(=O)Cn1cc(C(=O)NCC(c2cccnc2)N2CCOCC2)c2c(Cl)cccc21.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
The InChIKey is VGIKURXJIZVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c23-17-4-1-5-18-21(17)16(13-28(18)14-20(24)29)22(30)26-12-19(15-3-2-6-25-11-15)27-7-9-31-10-8-27/h1-6,11,13,19H,7-10,12,14H2,(H2,24,29)(H,26,30).
What are the key properties of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 69084825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).