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

C23H25N3O2 — CID 97067678

IUPAC(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-16(23(27)25-18-6-5-7-19(14-18)28-2)26-12-10-17(11-13-26)21-15-24-22-9-4-3-8-20(21)22/h3-10,14-16,24H,11-13H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyJWQWJMCHZPPAIS-INIZCTEOSA-N
MW375.47 g/mol
LogP4.29
Rot. Bonds5

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

(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 97067678) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID97067678
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-16(23(27)25-18-6-5-7-19(14-18)28-2)26-12-10-17(11-13-26)21-15-24-22-9-4-3-8-20(21)22/h3-10,14-16,24H,11-13H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyJWQWJMCHZPPAIS-INIZCTEOSA-N
XLogP4.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide
CID 39998320
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
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 135569636
N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 75400684
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
CID 4594533
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide (CID 97067678) is (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is JWQWJMCHZPPAIS-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(23(27)25-18-6-5-7-19(14-18)28-2)26-12-10-17(11-13-26)21-15-24-22-9-4-3-8-20(21)22/h3-10,14-16,24H,11-13H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide?
(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 97067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).