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

C21H28N4O2 — CID 98133554

IUPAC3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
SMILESCOCCC(=O)NCC1CCC(c2nc(C)ncc2-c2ccncc2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-23-14-19(17-7-10-22-11-8-17)21(25-15)18-5-3-16(4-6-18)13-24-20(26)9-12-27-2/h7-8,10-11,14,16,18H,3-6,9,12-13H2,1-2H3,(H,24,26)
InChIKeyBYIFQNWZCBQYHW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.27
Rot. Bonds7

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

3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide (PubChem CID 98133554) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
PubChem CID98133554
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
SMILESCOCCC(=O)NCC1CCC(c2nc(C)ncc2-c2ccncc2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-23-14-19(17-7-10-22-11-8-17)21(25-15)18-5-3-16(4-6-18)13-24-20(26)9-12-27-2/h7-8,10-11,14,16,18H,3-6,9,12-13H2,1-2H3,(H,24,26)
InChIKeyBYIFQNWZCBQYHW-UHFFFAOYSA-N
XLogP3.27
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133547
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]-2-(3-methylphenyl)acetamide
CID 98133635
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
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 110235419
(2S)-2-phenyl-N-[[4-(5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133618
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98063822
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide (CID 98133554) is 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide is COCCC(=O)NCC1CCC(c2nc(C)ncc2-c2ccncc2)CC1.
What is the InChIKey of 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
The InChIKey is BYIFQNWZCBQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-23-14-19(17-7-10-22-11-8-17)21(25-15)18-5-3-16(4-6-18)13-24-20(26)9-12-27-2/h7-8,10-11,14,16,18H,3-6,9,12-13H2,1-2H3,(H,24,26).
What are the key properties of 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide?
3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 98133554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).