N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide

C27H30N4O2 — CID 92620140

IUPACN-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cc1C
InChIInChI=1S/C27H30N4O2/c1-18-10-11-22(14-19(18)2)15-26(33)30(4)17-24-28-20(3)23-12-13-25(32)31(27(23)29-24)16-21-8-6-5-7-9-21/h5-11,14H,12-13,15-17H2,1-4H3
InChIKeyVBCVPLUDIGAUJF-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.08
Rot. Bonds6

About N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide

N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 92620140) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID92620140
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cc1C
InChIInChI=1S/C27H30N4O2/c1-18-10-11-22(14-19(18)2)15-26(33)30(4)17-24-28-20(3)23-12-13-25(32)31(27(23)29-24)16-21-8-6-5-7-9-21/h5-11,14H,12-13,15-17H2,1-4H3
InChIKeyVBCVPLUDIGAUJF-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 92620140) is N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cc1C.
What is the InChIKey of N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is VBCVPLUDIGAUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18-10-11-22(14-19(18)2)15-26(33)30(4)17-24-28-20(3)23-12-13-25(32)31(27(23)29-24)16-21-8-6-5-7-9-21/h5-11,14H,12-13,15-17H2,1-4H3.
What are the key properties of N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 442.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 92620140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).