N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide

C21H30N6O2 — CID 110259724

IUPACN-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide
SMILESCNc1cc(C2CCCNC2)nc(CN(C)CC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C21H30N6O2/c1-22-19-11-18(15-5-4-10-23-12-15)25-20(26-19)13-27(2)14-21(28)24-16-6-8-17(29-3)9-7-16/h6-9,11,15,23H,4-5,10,12-14H2,1-3H3,(H,24,28)(H,22,25,26)
InChIKeyMGLAQGLNJKGQLF-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.06
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide

N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide (PubChem CID 110259724) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide
PubChem CID110259724
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide
SMILESCNc1cc(C2CCCNC2)nc(CN(C)CC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C21H30N6O2/c1-22-19-11-18(15-5-4-10-23-12-15)25-20(26-19)13-27(2)14-21(28)24-16-6-8-17(29-3)9-7-16/h6-9,11,15,23H,4-5,10,12-14H2,1-3H3,(H,24,28)(H,22,25,26)
InChIKeyMGLAQGLNJKGQLF-UHFFFAOYSA-N
XLogP2.06
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
CID 92624339
N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 92624362
N-(4-methoxyphenyl)-2-piperidin-3-yloxyacetamide
CID 43196810
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 109397914
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide (CID 110259724) is N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide is CNc1cc(C2CCCNC2)nc(CN(C)CC(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide?
The InChIKey is MGLAQGLNJKGQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-22-19-11-18(15-5-4-10-23-12-15)25-20(26-19)13-27(2)14-21(28)24-16-6-8-17(29-3)9-7-16/h6-9,11,15,23H,4-5,10,12-14H2,1-3H3,(H,24,28)(H,22,25,26).
What are the key properties of N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide?
N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 110259724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).