(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C22H24N4O3 — CID 110198730

IUPAC(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N4O3/c1-23-22(28)20-11-17(29-16-5-4-10-24-13-16)14-26(20)21(27)9-8-15-12-25-19-7-3-2-6-18(15)19/h2-7,10,12-13,17,20,25H,8-9,11,14H2,1H3,(H,23,28)/t17-,20-/m0/s1
InChIKeyBELDIVQPCLFTBY-PXNSSMCTSA-N
MW392.46 g/mol
LogP2.29
Rot. Bonds6

About (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198730) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198730
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N4O3/c1-23-22(28)20-11-17(29-16-5-4-10-24-13-16)14-26(20)21(27)9-8-15-12-25-19-7-3-2-6-18(15)19/h2-7,10,12-13,17,20,25H,8-9,11,14H2,1H3,(H,23,28)/t17-,20-/m0/s1
InChIKeyBELDIVQPCLFTBY-PXNSSMCTSA-N
XLogP2.29
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198726
1-[3-(1H-indol-3-yl)propanoyl]-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 171142208
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
(2S,4S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198771
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198730) is (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is BELDIVQPCLFTBY-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-23-22(28)20-11-17(29-16-5-4-10-24-13-16)14-26(20)21(27)9-8-15-12-25-19-7-3-2-6-18(15)19/h2-7,10,12-13,17,20,25H,8-9,11,14H2,1H3,(H,23,28)/t17-,20-/m0/s1.
What are the key properties of (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).