2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

C21H22ClN3O3 — CID 11418149

IUPAC2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(Cl)ccc21)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C21H22ClN3O3/c22-17-3-4-19-16(10-17)11-20(26)25(19)14-21(27)24(13-18-2-1-9-28-18)12-15-5-7-23-8-6-15/h3-8,10,18H,1-2,9,11-14H2
InChIKeyFNRWXPBWWXEZPF-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.83
Rot. Bonds6

About 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 11418149) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID11418149
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(Cl)ccc21)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C21H22ClN3O3/c22-17-3-4-19-16(10-17)11-20(26)25(19)14-21(27)24(13-18-2-1-9-28-18)12-15-5-7-23-8-6-15/h3-8,10,18H,1-2,9,11-14H2
InChIKeyFNRWXPBWWXEZPF-UHFFFAOYSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 125178218
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 46994502
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55899651
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 91770989
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
3-(4-chloro-2-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 17369616
3-(4-chloro-2-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea
CID 40608397

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 11418149) is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is O=C(CN1C(=O)Cc2cc(Cl)ccc21)N(Cc1ccncc1)CC1CCCO1.
What is the InChIKey of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is FNRWXPBWWXEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-17-3-4-19-16(10-17)11-20(26)25(19)14-21(27)24(13-18-2-1-9-28-18)12-15-5-7-23-8-6-15/h3-8,10,18H,1-2,9,11-14H2.
What are the key properties of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 399.88 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 11418149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).