4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide

C27H26N6O6S — CID 54316721

IUPAC4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
SMILESC=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C(=O)NC)c3)nc(OC)c2Oc2ccccc2OC)nc1
InChIInChI=1S/C27H26N6O6S/c1-16(2)18-10-11-22(30-15-18)40(35,36)33-25-23(39-21-9-7-6-8-20(21)37-4)27(38-5)32-24(31-25)17-12-13-29-19(14-17)26(34)28-3/h6-15H,1H2,2-5H3,(H,28,34)(H,31,32,33)
InChIKeySOSPWSRQOHZEMS-UHFFFAOYSA-N
MW562.61 g/mol
LogP3.94
Rot. Bonds10

About 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide

4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 54316721) has the molecular formula C27H26N6O6S and a molecular weight of 562.61 g/mol. Its IUPAC name is 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID54316721
Molecular FormulaC27H26N6O6S
Molecular Weight562.61 g/mol
Exact Mass562.16
IUPAC Name4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
SMILESC=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C(=O)NC)c3)nc(OC)c2Oc2ccccc2OC)nc1
InChIInChI=1S/C27H26N6O6S/c1-16(2)18-10-11-22(30-15-18)40(35,36)33-25-23(39-21-9-7-6-8-20(21)37-4)27(38-5)32-24(31-25)17-12-13-29-19(14-17)26(34)28-3/h6-15H,1H2,2-5H3,(H,28,34)(H,31,32,33)
InChIKeySOSPWSRQOHZEMS-UHFFFAOYSA-N
XLogP3.94
TPSA154.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.61
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylic acid
CID 21200276
N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide
CID 54563106
2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
CID 54441379
N'-hydroxy-4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboximidamide
CID 135550517
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 54011551
N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 54138361
5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
CID 11569523
N-[6-methoxy-2-pyridin-4-yl-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
CID 46185727
disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 173034252
4-methoxy-2-(2-methoxycarbonyl-4-pyridinyl)-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)-sulfinoamino]pyrimidine
CID 57084840
5-[amino(dihydroxy)methyl]-N-[5-(2-methoxyphenoxy)-2-pyridin-4-yl-6-(trihydroxymethoxy)pyrimidin-4-yl]pyridine-2-sulfonamide
CID 91406255
N-[6-methoxy-5-(2-methylphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 71158041

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide (CID 54316721) is 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide is C=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C(=O)NC)c3)nc(OC)c2Oc2ccccc2OC)nc1.
What is the InChIKey of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is SOSPWSRQOHZEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O6S/c1-16(2)18-10-11-22(30-15-18)40(35,36)33-25-23(39-21-9-7-6-8-20(21)37-4)27(38-5)32-24(31-25)17-12-13-29-19(14-17)26(34)28-3/h6-15H,1H2,2-5H3,(H,28,34)(H,31,32,33).
What are the key properties of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 562.61 g/mol, XLogP of 3.94, 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-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 54316721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).