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

C23H26N4O3 — CID 110198726

IUPAC(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H26N4O3/c1-24-23(29)21-12-18(30-17-7-5-11-25-14-17)15-27(21)22(28)10-4-6-16-13-26-20-9-3-2-8-19(16)20/h2-3,5,7-9,11,13-14,18,21,26H,4,6,10,12,15H2,1H3,(H,24,29)/t18-,21-/m0/s1
InChIKeyDSJIYCWAVNGXKG-RXVVDRJESA-N
MW406.49 g/mol
LogP2.68
Rot. Bonds7

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

(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198726) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198726
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H26N4O3/c1-24-23(29)21-12-18(30-17-7-5-11-25-14-17)15-27(21)22(28)10-4-6-16-13-26-20-9-3-2-8-19(16)20/h2-3,5,7-9,11,13-14,18,21,26H,4,6,10,12,15H2,1H3,(H,24,29)/t18-,21-/m0/s1
InChIKeyDSJIYCWAVNGXKG-RXVVDRJESA-N
XLogP2.68
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198730
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)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
CID 124942544
4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
CID 110086516
(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
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
(2S,4S)-N-methyl-1-(6-methylpyridine-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198263
4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086524
(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198769

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198726) is (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is DSJIYCWAVNGXKG-RXVVDRJESA-N. The full InChI is InChI=1S/C23H26N4O3/c1-24-23(29)21-12-18(30-17-7-5-11-25-14-17)15-27(21)22(28)10-4-6-16-13-26-20-9-3-2-8-19(16)20/h2-3,5,7-9,11,13-14,18,21,26H,4,6,10,12,15H2,1H3,(H,24,29)/t18-,21-/m0/s1.
What are the key properties of (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).