6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide

C26H36N8O4 — CID 139385793

IUPAC6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(OC(C)COC)n1
InChIInChI=1S/C26H36N8O4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35)
InChIKeyMEWLYGQURLJZLO-UHFFFAOYSA-N
MW524.63 g/mol
LogP2.31
Rot. Bonds11

About 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide

6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide (PubChem CID 139385793) has the molecular formula C26H36N8O4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide
PubChem CID139385793
Molecular FormulaC26H36N8O4
Molecular Weight524.63 g/mol
Exact Mass524.29
IUPAC Name6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(OC(C)COC)n1
InChIInChI=1S/C26H36N8O4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35)
InChIKeyMEWLYGQURLJZLO-UHFFFAOYSA-N
XLogP2.31
TPSA142.54 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide (CID 139385793) is 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide is CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(OC(C)COC)n1.
What is the InChIKey of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide?
The InChIKey is MEWLYGQURLJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35).
What are the key properties of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide?
6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-(1-methoxypropan-2-yloxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 139385793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).