3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide

C27H32N4O2 — CID 98133551

IUPAC3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCC(c3nc(C)ncc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19-29-18-25(22-13-15-28-16-14-22)27(31-19)23-8-3-21(4-9-23)17-30-26(32)12-7-20-5-10-24(33-2)11-6-20/h5-6,10-11,13-16,18,21,23H,3-4,7-9,12,17H2,1-2H3,(H,30,32)
InChIKeyAOTXPXPWJALPCT-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.88
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide

3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide (PubChem CID 98133551) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
PubChem CID98133551
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCC(c3nc(C)ncc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19-29-18-25(22-13-15-28-16-14-22)27(31-19)23-8-3-21(4-9-23)17-30-26(32)12-7-20-5-10-24(33-2)11-6-20/h5-6,10-11,13-16,18,21,23H,3-4,7-9,12,17H2,1-2H3,(H,30,32)
InChIKeyAOTXPXPWJALPCT-UHFFFAOYSA-N
XLogP4.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133554
2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133547
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
(2S)-2-(2-fluorophenoxy)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98132255
N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide
CID 98133623
N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98133681
2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133702
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
2-(4-methylphenyl)-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]acetamide
CID 98134976
2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065252

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide (CID 98133551) is 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide is COc1ccc(CCC(=O)NCC2CCC(c3nc(C)ncc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
The InChIKey is AOTXPXPWJALPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-29-18-25(22-13-15-28-16-14-22)27(31-19)23-8-3-21(4-9-23)17-30-26(32)12-7-20-5-10-24(33-2)11-6-20/h5-6,10-11,13-16,18,21,23H,3-4,7-9,12,17H2,1-2H3,(H,30,32).
What are the key properties of 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide has a molecular weight of 444.58 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 98133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).