2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide

C22H25ClN4O3 — CID 41240519

IUPAC2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)C(C)C
InChIInChI=1S/C22H25ClN4O3/c1-14(2)27(15(3)4)19(28)13-25-18-6-5-11-24-20(18)21(29)26(22(25)30)12-16-7-9-17(23)10-8-16/h5-11,14-15H,12-13H2,1-4H3
InChIKeyVDNKYPZMNDZHLE-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.91
Rot. Bonds6

About 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 41240519) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID41240519
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)C(C)C
InChIInChI=1S/C22H25ClN4O3/c1-14(2)27(15(3)4)19(28)13-25-18-6-5-11-24-20(18)21(29)26(22(25)30)12-16-7-9-17(23)10-8-16/h5-11,14-15H,12-13H2,1-4H3
InChIKeyVDNKYPZMNDZHLE-UHFFFAOYSA-N
XLogP2.91
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27555520
3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569481
2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951992
3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569482
1-[2-(4-methylphenyl)-2-oxoethyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951955
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41233512
1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16809673
ethyl 4-[2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]piperazine-1-carboxylate
CID 41240392

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 41240519) is 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)C(C)C.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is VDNKYPZMNDZHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-14(2)27(15(3)4)19(28)13-25-18-6-5-11-24-20(18)21(29)26(22(25)30)12-16-7-9-17(23)10-8-16/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 428.92 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 41240519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).