2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide

C20H26N4O2 — CID 98133547

IUPAC2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2nc(C)ncc2-c2ccncc2)CC1
InChIInChI=1S/C20H26N4O2/c1-14-22-12-18(16-7-9-21-10-8-16)20(24-14)17-5-3-15(4-6-17)11-23-19(25)13-26-2/h7-10,12,15,17H,3-6,11,13H2,1-2H3,(H,23,25)
InChIKeyDPCMYTYQQNJSPK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.88
Rot. Bonds6

About 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide

2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide (PubChem CID 98133547) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
PubChem CID98133547
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2nc(C)ncc2-c2ccncc2)CC1
InChIInChI=1S/C20H26N4O2/c1-14-22-12-18(16-7-9-21-10-8-16)20(24-14)17-5-3-15(4-6-17)11-23-19(25)13-26-2/h7-10,12,15,17H,3-6,11,13H2,1-2H3,(H,23,25)
InChIKeyDPCMYTYQQNJSPK-UHFFFAOYSA-N
XLogP2.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.88
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
3-(4-methoxyphenyl)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133551
(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-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]-2-(3-methylphenyl)acetamide
CID 98133635
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
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98063822
5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 110235419
2-methoxy-N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065189
(2S)-2-phenyl-N-[[4-(5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133618

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide (CID 98133547) is 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide is COCC(=O)NCC1CCC(c2nc(C)ncc2-c2ccncc2)CC1.
What is the InChIKey of 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
The InChIKey is DPCMYTYQQNJSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-22-12-18(16-7-9-21-10-8-16)20(24-14)17-5-3-15(4-6-17)11-23-19(25)13-26-2/h7-10,12,15,17H,3-6,11,13H2,1-2H3,(H,23,25).
What are the key properties of 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide?
2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98133547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).