N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide

C30H32F3N9O4S — CID 164628829

IUPACN-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
SMILESCCCC(=O)N(c1ccc(-c2cnc(OC)nc2)cn1)C1CCC(Nc2ncc(C(F)(F)F)c(-c3cncc(S(N)(=O)=O)c3)n2)CC1
InChIInChI=1S/C30H32F3N9O4S/c1-3-4-26(43)42(25-10-5-18(13-36-25)20-14-38-29(46-2)39-15-20)22-8-6-21(7-9-22)40-28-37-17-24(30(31,32)33)27(41-28)19-11-23(16-35-12-19)47(34,44)45/h5,10-17,21-22H,3-4,6-9H2,1-2H3,(H2,34,44,45)(H,37,40,41)
InChIKeyQEIOBJMMEXZZTA-UHFFFAOYSA-N
MW671.71 g/mol
LogP4.62
Rot. Bonds10

About N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide

N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide (PubChem CID 164628829) has the molecular formula C30H32F3N9O4S and a molecular weight of 671.71 g/mol. Its IUPAC name is N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide.

Molecular Properties

Compound NameN-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
PubChem CID164628829
Molecular FormulaC30H32F3N9O4S
Molecular Weight671.71 g/mol
Exact Mass671.23
IUPAC NameN-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
SMILESCCCC(=O)N(c1ccc(-c2cnc(OC)nc2)cn1)C1CCC(Nc2ncc(C(F)(F)F)c(-c3cncc(S(N)(=O)=O)c3)n2)CC1
InChIInChI=1S/C30H32F3N9O4S/c1-3-4-26(43)42(25-10-5-18(13-36-25)20-14-38-29(46-2)39-15-20)22-8-6-21(7-9-22)40-28-37-17-24(30(31,32)33)27(41-28)19-11-23(16-35-12-19)47(34,44)45/h5,10-17,21-22H,3-4,6-9H2,1-2H3,(H2,34,44,45)(H,37,40,41)
InChIKeyQEIOBJMMEXZZTA-UHFFFAOYSA-N
XLogP4.62
TPSA179.07 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.71
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide with MolForge

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Related Compounds

US11236046, Example 61
CID 118008519
US11236046, Example 127
CID 118019678
US11236046, Example 169
CID 118019773
US11208423, Example 33
CID 163200982
US20230357239, Example 17
CID 168874830
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[6-[6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]methyl]piperidine-2-carboxamide
CID 137642995
2-[2-piperidin-1-yl-4-[4-(trifluoromethyl)anilino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-N-propan-2-ylpyridine-3-sulfonamide
CID 24782137
2-[[2-[(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 117075582
US20260028365, Example 543
CID 170730703
N-[5-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]-2-pyridyl]cyclopropanecarboxamide
CID 71592879
2,2-difluoroethyl N-[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 164609798
(2-hydroxy-2-methylpropyl) N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 164611107

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide?
The IUPAC name of N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide (CID 164628829) is N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide.
What is the SMILES notation for N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide?
The canonical SMILES for N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide is CCCC(=O)N(c1ccc(-c2cnc(OC)nc2)cn1)C1CCC(Nc2ncc(C(F)(F)F)c(-c3cncc(S(N)(=O)=O)c3)n2)CC1.
What is the InChIKey of N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide?
The InChIKey is QEIOBJMMEXZZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N9O4S/c1-3-4-26(43)42(25-10-5-18(13-36-25)20-14-38-29(46-2)39-15-20)22-8-6-21(7-9-22)40-28-37-17-24(30(31,32)33)27(41-28)19-11-23(16-35-12-19)47(34,44)45/h5,10-17,21-22H,3-4,6-9H2,1-2H3,(H2,34,44,45)(H,37,40,41).
What are the key properties of N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide?
N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide has a molecular weight of 671.71 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide is sourced from PubChem (CID 164628829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).