N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide

C26H22N6O5S — CID 54563106

IUPACN-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide
SMILESC=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C#N)c3)nc(OC)c2Oc2ccccc2OC)nc1
InChIInChI=1S/C26H22N6O5S/c1-16(2)18-9-10-22(29-15-18)38(33,34)32-25-23(37-21-8-6-5-7-20(21)35-3)26(36-4)31-24(30-25)17-11-12-28-19(13-17)14-27/h5-13,15H,1H2,2-4H3,(H,30,31,32)
InChIKeyZRXNUQJBCUJROH-UHFFFAOYSA-N
MW530.57 g/mol
LogP4.45
Rot. Bonds9

About N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide

N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide (PubChem CID 54563106) has the molecular formula C26H22N6O5S and a molecular weight of 530.57 g/mol. Its IUPAC name is N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide
PubChem CID54563106
Molecular FormulaC26H22N6O5S
Molecular Weight530.57 g/mol
Exact Mass530.14
IUPAC NameN-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide
SMILESC=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C#N)c3)nc(OC)c2Oc2ccccc2OC)nc1
InChIInChI=1S/C26H22N6O5S/c1-16(2)18-9-10-22(29-15-18)38(33,34)32-25-23(37-21-8-6-5-7-20(21)35-3)26(36-4)31-24(30-25)17-11-12-28-19(13-17)14-27/h5-13,15H,1H2,2-4H3,(H,30,31,32)
InChIKeyZRXNUQJBCUJROH-UHFFFAOYSA-N
XLogP4.45
TPSA149.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 54011551
N'-hydroxy-4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboximidamide
CID 135550517
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
2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
CID 54441379
N-[6-methoxy-2-pyridin-4-yl-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
CID 46185727
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
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
N-[6-methoxy-2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
CID 46185987

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide?
The IUPAC name of N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide (CID 54563106) is N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide is C=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C#N)c3)nc(OC)c2Oc2ccccc2OC)nc1.
What is the InChIKey of N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide?
The InChIKey is ZRXNUQJBCUJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O5S/c1-16(2)18-9-10-22(29-15-18)38(33,34)32-25-23(37-21-8-6-5-7-20(21)35-3)26(36-4)31-24(30-25)17-11-12-28-19(13-17)14-27/h5-13,15H,1H2,2-4H3,(H,30,31,32).
What are the key properties of N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide?
N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide has a molecular weight of 530.57 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 54563106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).