N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

C17H17ClN4O3 — CID 53111896

IUPACN-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCn1c(=O)c2ccn(CC(=O)NCc3cccc(Cl)c3)c2n(C)c1=O
InChIInChI=1S/C17H17ClN4O3/c1-20-15-13(16(24)21(2)17(20)25)6-7-22(15)10-14(23)19-9-11-4-3-5-12(18)8-11/h3-8H,9-10H2,1-2H3,(H,19,23)
InChIKeyQBXPJMZZBWDREE-UHFFFAOYSA-N
MW360.80 g/mol
LogP1.01
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (PubChem CID 53111896) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
PubChem CID53111896
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCn1c(=O)c2ccn(CC(=O)NCc3cccc(Cl)c3)c2n(C)c1=O
InChIInChI=1S/C17H17ClN4O3/c1-20-15-13(16(24)21(2)17(20)25)6-7-22(15)10-14(23)19-9-11-4-3-5-12(18)8-11/h3-8H,9-10H2,1-2H3,(H,19,23)
InChIKeyQBXPJMZZBWDREE-UHFFFAOYSA-N
XLogP1.01
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111882
N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111925
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111845
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
N-[(3-chlorophenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 22514827
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39335309
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (CID 53111896) is N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is Cn1c(=O)c2ccn(CC(=O)NCc3cccc(Cl)c3)c2n(C)c1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The InChIKey is QBXPJMZZBWDREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-20-15-13(16(24)21(2)17(20)25)6-7-22(15)10-14(23)19-9-11-4-3-5-12(18)8-11/h3-8H,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide has a molecular weight of 360.80 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 53111896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).