N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide

C24H27N5O2 — CID 11750428

IUPACN-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(NC(=O)CC3CCCCN3)cc2)ncn1
InChIInChI=1S/C24H27N5O2/c1-31-22-8-3-2-7-20(22)21-15-23(27-16-26-21)28-17-9-11-18(12-10-17)29-24(30)14-19-6-4-5-13-25-19/h2-3,7-12,15-16,19,25H,4-6,13-14H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyLZHDICYDFIHNEH-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.37
Rot. Bonds7

About N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide

N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide (PubChem CID 11750428) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide
PubChem CID11750428
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(NC(=O)CC3CCCCN3)cc2)ncn1
InChIInChI=1S/C24H27N5O2/c1-31-22-8-3-2-7-20(22)21-15-23(27-16-26-21)28-17-9-11-18(12-10-17)29-24(30)14-19-6-4-5-13-25-19/h2-3,7-12,15-16,19,25H,4-6,13-14H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyLZHDICYDFIHNEH-UHFFFAOYSA-N
XLogP4.37
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide with MolForge

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 68915590
3-amino-3-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]propanamide
CID 68911475
methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
CID 144580770
[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] 2,2-dimethylpropanoate
CID 174930706
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 25227433
(2S)-N-[4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]piperidine-2-carboxamide
CID 90739997
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 68913236
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 73335147
4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide?
The IUPAC name of N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide (CID 11750428) is N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide?
The canonical SMILES for N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide is COc1ccccc1-c1cc(Nc2ccc(NC(=O)CC3CCCCN3)cc2)ncn1.
What is the InChIKey of N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide?
The InChIKey is LZHDICYDFIHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-31-22-8-3-2-7-20(22)21-15-23(27-16-26-21)28-17-9-11-18(12-10-17)29-24(30)14-19-6-4-5-13-25-19/h2-3,7-12,15-16,19,25H,4-6,13-14H2,1H3,(H,29,30)(H,26,27,28).
What are the key properties of N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide?
N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide has a molecular weight of 417.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide is sourced from PubChem (CID 11750428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).