(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide

C26H27N3O3 — CID 93125251

IUPAC(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C26H27N3O3/c1-31-19-10-11-21(25(15-19)32-2)22(23-17-29-24-9-4-3-8-20(23)24)16-26(30)28-14-12-18-7-5-6-13-27-18/h3-11,13,15,17,22,29H,12,14,16H2,1-2H3,(H,28,30)/t22-/m1/s1
InChIKeyDJLIOLXPTLHKIP-JOCHJYFZSA-N
MW429.52 g/mol
LogP4.46
Rot. Bonds9

About (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide

(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 93125251) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID93125251
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C26H27N3O3/c1-31-19-10-11-21(25(15-19)32-2)22(23-17-29-24-9-4-3-8-20(23)24)16-26(30)28-14-12-18-7-5-6-13-27-18/h3-11,13,15,17,22,29H,12,14,16H2,1-2H3,(H,28,30)/t22-/m1/s1
InChIKeyDJLIOLXPTLHKIP-JOCHJYFZSA-N
XLogP4.46
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83285420
(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125185
3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83290129
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 93125254
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
(3S)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 98443946
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 93125251) is (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is COc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is DJLIOLXPTLHKIP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-19-10-11-21(25(15-19)32-2)22(23-17-29-24-9-4-3-8-20(23)24)16-26(30)28-14-12-18-7-5-6-13-27-18/h3-11,13,15,17,22,29H,12,14,16H2,1-2H3,(H,28,30)/t22-/m1/s1.
What are the key properties of (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 429.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 93125251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).