3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane

C24H33N7O4 — CID 145103338

IUPAC3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane
SMILESC1CCOC1.COc1nc(C(=O)N2CCC2)cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C20H25N7O3.C4H8O/c1-30-20-24-15(19(29)27-7-2-8-27)11-16(25-20)26-9-5-12(6-10-26)14-4-3-13(21)17(23-14)18(22)28;1-2-4-5-3-1/h3-4,11-12H,2,5-10,21H2,1H3,(H2,22,28);1-4H2
InChIKeyXUDSWJSLTHHNSV-UHFFFAOYSA-N
MW483.57 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane

3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane (PubChem CID 145103338) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane.

Molecular Properties

Compound Name3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane
PubChem CID145103338
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Name3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane
SMILESC1CCOC1.COc1nc(C(=O)N2CCC2)cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C20H25N7O3.C4H8O/c1-30-20-24-15(19(29)27-7-2-8-27)11-16(25-20)26-9-5-12(6-10-26)14-4-3-13(21)17(23-14)18(22)28;1-2-4-5-3-1/h3-4,11-12H,2,5-10,21H2,1H3,(H2,22,28);1-4H2
InChIKeyXUDSWJSLTHHNSV-UHFFFAOYSA-N
XLogP1.59
TPSA149.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane?
The IUPAC name of 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane (CID 145103338) is 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane.
What is the SMILES notation for 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane?
The canonical SMILES for 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane is C1CCOC1.COc1nc(C(=O)N2CCC2)cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1.
What is the InChIKey of 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane?
The InChIKey is XUDSWJSLTHHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3.C4H8O/c1-30-20-24-15(19(29)27-7-2-8-27)11-16(25-20)26-9-5-12(6-10-26)14-4-3-13(21)17(23-14)18(22)28;1-2-4-5-3-1/h3-4,11-12H,2,5-10,21H2,1H3,(H2,22,28);1-4H2.
What are the key properties of 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane?
3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane has a molecular weight of 483.57 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane is sourced from PubChem (CID 145103338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).