(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C18H25N3O3 — CID 110198982

IUPAC(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C18H25N3O3/c1-12(2)8-17(22)21-11-15(24-14-4-3-7-19-10-14)9-16(21)18(23)20-13-5-6-13/h3-4,7,10,12-13,15-16H,5-6,8-9,11H2,1-2H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyJSTFVNJPOHRCRX-HOTGVXAUSA-N
MW331.42 g/mol
LogP1.75
Rot. Bonds6

About (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198982) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198982
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C18H25N3O3/c1-12(2)8-17(22)21-11-15(24-14-4-3-7-19-10-14)9-16(21)18(23)20-13-5-6-13/h3-4,7,10,12-13,15-16H,5-6,8-9,11H2,1-2H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyJSTFVNJPOHRCRX-HOTGVXAUSA-N
XLogP1.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198982) is (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CC(C)CC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is JSTFVNJPOHRCRX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)8-17(22)21-11-15(24-14-4-3-7-19-10-14)9-16(21)18(23)20-13-5-6-13/h3-4,7,10,12-13,15-16H,5-6,8-9,11H2,1-2H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).