2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide

C26H29ClN4O2 — CID 50826144

IUPAC2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C(C)C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1Cl
InChIInChI=1S/C26H29ClN4O2/c1-17(2)25-29-23-15-30(14-19-7-5-4-6-8-19)12-11-21(23)26(33)31(25)16-24(32)28-20-10-9-18(3)22(27)13-20/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,28,32)
InChIKeyZOFPAJHPEGIUHS-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.53
Rot. Bonds6

About 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide

2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 50826144) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID50826144
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C(C)C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1Cl
InChIInChI=1S/C26H29ClN4O2/c1-17(2)25-29-23-15-30(14-19-7-5-4-6-8-19)12-11-21(23)26(33)31(25)16-24(32)28-20-10-9-18(3)22(27)13-20/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,28,32)
InChIKeyZOFPAJHPEGIUHS-UHFFFAOYSA-N
XLogP4.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 50826260
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 50826400
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
CID 53109812
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53031242
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide
CID 53031264
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 46954333
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53031405
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
CID 53031397
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53031416
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 53031244
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 46507886
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
CID 53031404

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide (CID 50826144) is 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(C(C)C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1Cl.
What is the InChIKey of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is ZOFPAJHPEGIUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-17(2)25-29-23-15-30(14-19-7-5-4-6-8-19)12-11-21(23)26(33)31(25)16-24(32)28-20-10-9-18(3)22(27)13-20/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,28,32).
What are the key properties of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide?
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 465.00 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 50826144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).