N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

C19H21N5O4 — CID 42630418

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1
InChIInChI=1S/C19H21N5O4/c1-12-14(17(24-28-12)15-6-7-20-11-22-15)9-27-16-5-4-13(8-21-16)18(26)23-19(2,3)10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,26)
InChIKeyWHAGLYKNWUROAY-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.91
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (PubChem CID 42630418) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
PubChem CID42630418
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1
InChIInChI=1S/C19H21N5O4/c1-12-14(17(24-28-12)15-6-7-20-11-22-15)9-27-16-5-4-13(8-21-16)18(26)23-19(2,3)10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,26)
InChIKeyWHAGLYKNWUROAY-UHFFFAOYSA-N
XLogP1.91
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (CID 42630418) is N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is WHAGLYKNWUROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12-14(17(24-28-12)15-6-7-20-11-22-15)9-27-16-5-4-13(8-21-16)18(26)23-19(2,3)10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,26).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-6-[(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 42630418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).