2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide

C25H29BrN6O2 — CID 23026734

IUPAC2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
SMILESCc1cnc(NC2CCC(NC(=O)c3cccnc3Oc3ccccc3Br)CC2)nc1N(C)C
InChIInChI=1S/C25H29BrN6O2/c1-16-15-28-25(31-22(16)32(2)3)30-18-12-10-17(11-13-18)29-23(33)19-7-6-14-27-24(19)34-21-9-5-4-8-20(21)26/h4-9,14-15,17-18H,10-13H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyWAANWNVASVQUGA-UHFFFAOYSA-N
MW525.45 g/mol
LogP4.95
Rot. Bonds7

About 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide

2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 23026734) has the molecular formula C25H29BrN6O2 and a molecular weight of 525.45 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
PubChem CID23026734
Molecular FormulaC25H29BrN6O2
Molecular Weight525.45 g/mol
Exact Mass524.15
IUPAC Name2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
SMILESCc1cnc(NC2CCC(NC(=O)c3cccnc3Oc3ccccc3Br)CC2)nc1N(C)C
InChIInChI=1S/C25H29BrN6O2/c1-16-15-28-25(31-22(16)32(2)3)30-18-12-10-17(11-13-18)29-23(33)19-7-6-14-27-24(19)34-21-9-5-4-8-20(21)26/h4-9,14-15,17-18H,10-13H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyWAANWNVASVQUGA-UHFFFAOYSA-N
XLogP4.95
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide 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-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23027283
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-phenoxypyridine-3-carboxamide;methane
CID 158714036
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide
CID 69477161
2-chloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 174488816
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-2-[1-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]pyridine-3-carboxamide
CID 174488834
2-(2-chlorophenoxy)-N-cyclohexylpyridine-3-carboxamide
CID 56661736
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
CID 87995828
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23027623
2-(3-bromophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-2-sulfinylacetamide
CID 174488794
2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide
CID 141176337
1-[1-(4-chlorophenyl)cyclopropyl]-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 23027849
1-(3-chlorophenyl)-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 23026586

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide (CID 23026734) is 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide is Cc1cnc(NC2CCC(NC(=O)c3cccnc3Oc3ccccc3Br)CC2)nc1N(C)C.
What is the InChIKey of 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is WAANWNVASVQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN6O2/c1-16-15-28-25(31-22(16)32(2)3)30-18-12-10-17(11-13-18)29-23(33)19-7-6-14-27-24(19)34-21-9-5-4-8-20(21)26/h4-9,14-15,17-18H,10-13H2,1-3H3,(H,29,33)(H,28,30,31).
What are the key properties of 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide?
2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 525.45 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 23026734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).