N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C20H18ClN5O4 — CID 47029857

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)nc2n(C)c1=O
InChIInChI=1S/C20H18ClN5O4/c1-24-17-12(19(29)25(2)20(24)30)6-8-14(22-17)18(28)23-15-10-11(5-7-13(15)21)26-9-3-4-16(26)27/h5-8,10H,3-4,9H2,1-2H3,(H,23,28)
InChIKeyUMMXMXYUDCZINC-UHFFFAOYSA-N
MW427.85 g/mol
LogP1.66
Rot. Bonds3

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 47029857) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID47029857
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)nc2n(C)c1=O
InChIInChI=1S/C20H18ClN5O4/c1-24-17-12(19(29)25(2)20(24)30)6-8-14(22-17)18(28)23-15-10-11(5-7-13(15)21)26-9-3-4-16(26)27/h5-8,10H,3-4,9H2,1-2H3,(H,23,28)
InChIKeyUMMXMXYUDCZINC-UHFFFAOYSA-N
XLogP1.66
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39628674
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 55919694
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580012
1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 99835705
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37399249
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55675672
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525022

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 47029857) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)nc2n(C)c1=O.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is UMMXMXYUDCZINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c1-24-17-12(19(29)25(2)20(24)30)6-8-14(22-17)18(28)23-15-10-11(5-7-13(15)21)26-9-3-4-16(26)27/h5-8,10H,3-4,9H2,1-2H3,(H,23,28).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 47029857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).