6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C19H24N4O3S — CID 71093620

IUPAC6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C19H24N4O3S/c1-19(2,18-20-7-8-27-18)22-16(25)14-5-6-15(23-9-13(24)10-23)17(21-14)26-11-12-3-4-12/h5-8,12-13,24H,3-4,9-11H2,1-2H3,(H,22,25)
InChIKeyMWFXRSRBFNCOQY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.17
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71093620) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71093620
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C19H24N4O3S/c1-19(2,18-20-7-8-27-18)22-16(25)14-5-6-15(23-9-13(24)10-23)17(21-14)26-11-12-3-4-12/h5-8,12-13,24H,3-4,9-11H2,1-2H3,(H,22,25)
InChIKeyMWFXRSRBFNCOQY-UHFFFAOYSA-N
XLogP2.17
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71093620) is 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)c1nccs1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is MWFXRSRBFNCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-19(2,18-20-7-8-27-18)22-16(25)14-5-6-15(23-9-13(24)10-23)17(21-14)26-11-12-3-4-12/h5-8,12-13,24H,3-4,9-11H2,1-2H3,(H,22,25).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).