N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide

C17H18N6O3 — CID 70751055

IUPACN-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1noc2ncnc(N3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)c12
InChIInChI=1S/C17H18N6O3/c1-10-14-15(19-9-20-17(14)26-22-10)23-7-5-11(13(24)8-23)21-16(25)12-4-2-3-6-18-12/h2-4,6,9,11,13,24H,5,7-8H2,1H3,(H,21,25)/t11-,13-/m1/s1
InChIKeyLJWGMWVXKZSIOR-DGCLKSJQSA-N
MW354.37 g/mol
LogP0.69
Rot. Bonds3

About N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 70751055) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID70751055
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1noc2ncnc(N3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)c12
InChIInChI=1S/C17H18N6O3/c1-10-14-15(19-9-20-17(14)26-22-10)23-7-5-11(13(24)8-23)21-16(25)12-4-2-3-6-18-12/h2-4,6,9,11,13,24H,5,7-8H2,1H3,(H,21,25)/t11-,13-/m1/s1
InChIKeyLJWGMWVXKZSIOR-DGCLKSJQSA-N
XLogP0.69
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide (CID 70751055) is N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide is Cc1noc2ncnc(N3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)c12.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is LJWGMWVXKZSIOR-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-10-14-15(19-9-20-17(14)26-22-10)23-7-5-11(13(24)8-23)21-16(25)12-4-2-3-6-18-12/h2-4,6,9,11,13,24H,5,7-8H2,1H3,(H,21,25)/t11-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70751055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).