(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide

C17H23N3O2 — CID 95231445

IUPAC(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C17H23N3O2/c1-12(15-5-3-4-8-18-15)19(2)17(22)14-9-16(21)20(11-14)10-13-6-7-13/h3-5,8,12-14H,6-7,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyVMXIWHJXIIPACC-OCCSQVGLSA-N
MW301.39 g/mol
LogP1.86
Rot. Bonds5

About (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide

(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide (PubChem CID 95231445) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide
PubChem CID95231445
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C17H23N3O2/c1-12(15-5-3-4-8-18-15)19(2)17(22)14-9-16(21)20(11-14)10-13-6-7-13/h3-5,8,12-14H,6-7,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyVMXIWHJXIIPACC-OCCSQVGLSA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide (CID 95231445) is (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide is C[C@H](c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide?
The InChIKey is VMXIWHJXIIPACC-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(15-5-3-4-8-18-15)19(2)17(22)14-9-16(21)20(11-14)10-13-6-7-13/h3-5,8,12-14H,6-7,9-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide?
(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95231445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).