2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide

C23H32N6O2 — CID 143371220

IUPAC2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCO/N=C/c1c(N)ncnc1N1CCC(CC(=O)NCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H32N6O2/c1-16(2)19-6-4-18(5-7-19)13-25-21(30)12-17-8-10-29(11-9-17)23-20(14-28-31-3)22(24)26-15-27-23/h4-7,14-17H,8-13H2,1-3H3,(H,25,30)(H2,24,26,27)/b28-14+
InChIKeyGEQOKOBIQPKAPJ-CCVNUDIWSA-N
MW424.55 g/mol
LogP3.09
Rot. Bonds8

About 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide

2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 143371220) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID143371220
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCO/N=C/c1c(N)ncnc1N1CCC(CC(=O)NCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H32N6O2/c1-16(2)19-6-4-18(5-7-19)13-25-21(30)12-17-8-10-29(11-9-17)23-20(14-28-31-3)22(24)26-15-27-23/h4-7,14-17H,8-13H2,1-3H3,(H,25,30)(H2,24,26,27)/b28-14+
InChIKeyGEQOKOBIQPKAPJ-CCVNUDIWSA-N
XLogP3.09
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 143371220) is 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide is CO/N=C/c1c(N)ncnc1N1CCC(CC(=O)NCc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is GEQOKOBIQPKAPJ-CCVNUDIWSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-16(2)19-6-4-18(5-7-19)13-25-21(30)12-17-8-10-29(11-9-17)23-20(14-28-31-3)22(24)26-15-27-23/h4-7,14-17H,8-13H2,1-3H3,(H,25,30)(H2,24,26,27)/b28-14+.
What are the key properties of 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide?
2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]piperidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 143371220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).