(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide

C19H25N3O — CID 39998320

IUPAC(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H25N3O/c1-3-10-20-19(23)14(2)22-11-8-15(9-12-22)17-13-21-18-7-5-4-6-16(17)18/h4-8,13-14,21H,3,9-12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyAYBAMBLDUNAVOS-AWEZNQCLSA-N
MW311.43 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide

(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide (PubChem CID 39998320) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide
PubChem CID39998320
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H25N3O/c1-3-10-20-19(23)14(2)22-11-8-15(9-12-22)17-13-21-18-7-5-4-6-16(17)18/h4-8,13-14,21H,3,9-12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyAYBAMBLDUNAVOS-AWEZNQCLSA-N
XLogP3.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 97067678
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 166211283
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 97352772
2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55838692
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 20916512
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
N-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55678155
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 46277470
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide?
The IUPAC name of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide (CID 39998320) is (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide is CCCNC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide?
The InChIKey is AYBAMBLDUNAVOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-10-20-19(23)14(2)22-11-8-15(9-12-22)17-13-21-18-7-5-4-6-16(17)18/h4-8,13-14,21H,3,9-12H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide?
(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 39998320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).