(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide

C25H25ClN4O3 — CID 67429235

IUPAC(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide
SMILESCOc1ccccc1C1(N[C@@H](Cc2ccccn2)C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C25H25ClN4O3/c1-30(2)23(31)21(15-17-8-6-7-13-27-17)29-25(18-9-4-5-10-22(18)33-3)19-14-16(26)11-12-20(19)28-24(25)32/h4-14,21,29H,15H2,1-3H3,(H,28,32)/t21-,25?/m0/s1
InChIKeyTUFTTWROJBLATB-BWDMCYIDSA-N
MW464.95 g/mol
LogP3.23
Rot. Bonds7

About (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide

(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide (PubChem CID 67429235) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide
PubChem CID67429235
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide
SMILESCOc1ccccc1C1(N[C@@H](Cc2ccccn2)C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C25H25ClN4O3/c1-30(2)23(31)21(15-17-8-6-7-13-27-17)29-25(18-9-4-5-10-22(18)33-3)19-14-16(26)11-12-20(19)28-24(25)32/h4-14,21,29H,15H2,1-3H3,(H,28,32)/t21-,25?/m0/s1
InChIKeyTUFTTWROJBLATB-BWDMCYIDSA-N
XLogP3.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-3,3-dimethylbutanoic acid
CID 174402555
(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylbutanamide
CID 11950368
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1H-indol-2-one
CID 67430051
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
[1-(5-chloro-2-methoxyphenyl)-3-pyridin-2-ylpropan-2-yl]hydrazine
CID 105199913
N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-N-methyl-2-pyridin-2-ylacetamide
CID 163373283
2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 110296691
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one
CID 67427811
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide (CID 67429235) is (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide is COc1ccccc1C1(N[C@@H](Cc2ccccn2)C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The InChIKey is TUFTTWROJBLATB-BWDMCYIDSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-30(2)23(31)21(15-17-8-6-7-13-27-17)29-25(18-9-4-5-10-22(18)33-3)19-14-16(26)11-12-20(19)28-24(25)32/h4-14,21,29H,15H2,1-3H3,(H,28,32)/t21-,25?/m0/s1.
What are the key properties of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide has a molecular weight of 464.95 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-N,N-dimethyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 67429235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).