(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide

C18H24N4O2 — CID 56718530

IUPAC(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C18H24N4O2/c1-10-6-5-7-13-11(2)16(21(4)15(10)13)18(24)22-9-12(19)8-14(22)17(23)20-3/h5-7,12,14H,8-9,19H2,1-4H3,(H,20,23)/t12-,14+/m1/s1
InChIKeyOKAOWWLZCUSCDP-OCCSQVGLSA-N
MW328.42 g/mol
LogP1.08
Rot. Bonds2

About (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56718530) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56718530
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C18H24N4O2/c1-10-6-5-7-13-11(2)16(21(4)15(10)13)18(24)22-9-12(19)8-14(22)17(23)20-3/h5-7,12,14H,8-9,19H2,1-4H3,(H,20,23)/t12-,14+/m1/s1
InChIKeyOKAOWWLZCUSCDP-OCCSQVGLSA-N
XLogP1.08
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide (CID 56718530) is (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)c2cccc(C)c2n1C.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OKAOWWLZCUSCDP-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-10-6-5-7-13-11(2)16(21(4)15(10)13)18(24)22-9-12(19)8-14(22)17(23)20-3/h5-7,12,14H,8-9,19H2,1-4H3,(H,20,23)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56718530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).