2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C24H28N6O2 — CID 92617154

IUPAC2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1
InChIInChI=1S/C24H28N6O2/c1-16-11-18(19-13-26-24(25)27-14-19)12-22(28-16)17-7-9-30(10-8-17)15-23(31)29-20-3-5-21(32-2)6-4-20/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,29,31)(H2,25,26,27)
InChIKeyOMVUODIZYUQFIX-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.26
Rot. Bonds6

About 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 92617154) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID92617154
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1
InChIInChI=1S/C24H28N6O2/c1-16-11-18(19-13-26-24(25)27-14-19)12-22(28-16)17-7-9-30(10-8-17)15-23(31)29-20-3-5-21(32-2)6-4-20/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,29,31)(H2,25,26,27)
InChIKeyOMVUODIZYUQFIX-UHFFFAOYSA-N
XLogP3.26
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 92616809
2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 95821102
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95834120
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide
CID 50751143
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110252149
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 92617154) is 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OMVUODIZYUQFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-11-18(19-13-26-24(25)27-14-19)12-22(28-16)17-7-9-30(10-8-17)15-23(31)29-20-3-5-21(32-2)6-4-20/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,29,31)(H2,25,26,27).
What are the key properties of 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 92617154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).