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

C16H23N3O3 — CID 110198720

IUPAC(2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CC(C)C
InChIInChI=1S/C16H23N3O3/c1-11(2)7-15(20)19-10-13(8-14(19)16(21)17-3)22-12-5-4-6-18-9-12/h4-6,9,11,13-14H,7-8,10H2,1-3H3,(H,17,21)/t13-,14-/m0/s1
InChIKeySKUNJWJQTHCTBB-KBPBESRZSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds5

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

(2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198720) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198720
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CC(C)C
InChIInChI=1S/C16H23N3O3/c1-11(2)7-15(20)19-10-13(8-14(19)16(21)17-3)22-12-5-4-6-18-9-12/h4-6,9,11,13-14H,7-8,10H2,1-3H3,(H,17,21)/t13-,14-/m0/s1
InChIKeySKUNJWJQTHCTBB-KBPBESRZSA-N
XLogP1.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198720) is (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)CC(C)C.
What is the InChIKey of (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is SKUNJWJQTHCTBB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)7-15(20)19-10-13(8-14(19)16(21)17-3)22-12-5-4-6-18-9-12/h4-6,9,11,13-14H,7-8,10H2,1-3H3,(H,17,21)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-methyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).