N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C20H21ClN4O3 — CID 55568821

IUPACN-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(Cl)c3)cc(C(C)C)nc21
InChIInChI=1S/C20H21ClN4O3/c1-4-8-25-17-16(19(27)24-20(25)28)14(10-15(23-17)11(2)3)18(26)22-13-7-5-6-12(21)9-13/h5-7,9-11H,4,8H2,1-3H3,(H,22,26)(H,24,27,28)
InChIKeyQMPSQBUXJQVKBV-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.52
Rot. Bonds5

About N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55568821) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55568821
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(Cl)c3)cc(C(C)C)nc21
InChIInChI=1S/C20H21ClN4O3/c1-4-8-25-17-16(19(27)24-20(25)28)14(10-15(23-17)11(2)3)18(26)22-13-7-5-6-12(21)9-13/h5-7,9-11H,4,8H2,1-3H3,(H,22,26)(H,24,27,28)
InChIKeyQMPSQBUXJQVKBV-UHFFFAOYSA-N
XLogP3.52
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(3-bromophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266984
1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267249
2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55826851
N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501
N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119384530
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119607991
1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55581069
N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676176
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate
CID 55962659
N-(2-methyl-5-nitrophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55922798
N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39298724

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55568821) is N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(Cl)c3)cc(C(C)C)nc21.
What is the InChIKey of N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QMPSQBUXJQVKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-4-8-25-17-16(19(27)24-20(25)28)14(10-15(23-17)11(2)3)18(26)22-13-7-5-6-12(21)9-13/h5-7,9-11H,4,8H2,1-3H3,(H,22,26)(H,24,27,28).
What are the key properties of N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55568821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).