6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide

C12H17N3O3 — CID 91787812

IUPAC6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCO[C@H]1CN(c2ccc(C(N)=O)cn2)C[C@@H]1O
InChIInChI=1S/C12H17N3O3/c1-2-18-10-7-15(6-9(10)16)11-4-3-8(5-14-11)12(13)17/h3-5,9-10,16H,2,6-7H2,1H3,(H2,13,17)/t9-,10-/m0/s1
InChIKeyRVTAZMBCTHGCFE-UWVGGRQHSA-N
MW251.29 g/mol
LogP-0.23
Rot. Bonds4

About 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide

6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 91787812) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID91787812
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCO[C@H]1CN(c2ccc(C(N)=O)cn2)C[C@@H]1O
InChIInChI=1S/C12H17N3O3/c1-2-18-10-7-15(6-9(10)16)11-4-3-8(5-14-11)12(13)17/h3-5,9-10,16H,2,6-7H2,1H3,(H2,13,17)/t9-,10-/m0/s1
InChIKeyRVTAZMBCTHGCFE-UWVGGRQHSA-N
XLogP-0.23
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide (CID 91787812) is 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide is CCO[C@H]1CN(c2ccc(C(N)=O)cn2)C[C@@H]1O.
What is the InChIKey of 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RVTAZMBCTHGCFE-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-10-7-15(6-9(10)16)11-4-3-8(5-14-11)12(13)17/h3-5,9-10,16H,2,6-7H2,1H3,(H2,13,17)/t9-,10-/m0/s1.
What are the key properties of 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91787812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).