4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide

C26H26N6O6S — CID 21200254

IUPAC4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(C(N)=O)c2)nc1OC
InChIInChI=1S/C26H26N6O6S/c1-15(2)17-9-10-21(29-14-17)39(34,35)32-25-22(38-20-8-6-5-7-19(20)36-3)26(37-4)31-24(30-25)16-11-12-28-18(13-16)23(27)33/h5-15H,1-4H3,(H2,27,33)(H,30,31,32)
InChIKeyBUIBBWMIISPCPE-UHFFFAOYSA-N
MW550.60 g/mol
LogP3.77
Rot. Bonds10

About 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide

4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 21200254) has the molecular formula C26H26N6O6S and a molecular weight of 550.60 g/mol. Its IUPAC name is 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID21200254
Molecular FormulaC26H26N6O6S
Molecular Weight550.60 g/mol
Exact Mass550.16
IUPAC Name4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(C(N)=O)c2)nc1OC
InChIInChI=1S/C26H26N6O6S/c1-15(2)17-9-10-21(29-14-17)39(34,35)32-25-22(38-20-8-6-5-7-19(20)36-3)26(37-4)31-24(30-25)16-11-12-28-18(13-16)23(27)33/h5-15H,1-4H3,(H2,27,33)(H,30,31,32)
InChIKeyBUIBBWMIISPCPE-UHFFFAOYSA-N
XLogP3.77
TPSA168.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.60
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 21200254) is 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(C(N)=O)c2)nc1OC.
What is the InChIKey of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is BUIBBWMIISPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O6S/c1-15(2)17-9-10-21(29-14-17)39(34,35)32-25-22(38-20-8-6-5-7-19(20)36-3)26(37-4)31-24(30-25)16-11-12-28-18(13-16)23(27)33/h5-15H,1-4H3,(H2,27,33)(H,30,31,32).
What are the key properties of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide?
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 550.60 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 21200254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).