N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C21H19ClN4O3 — CID 139007770

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CC(c2ccc(Cl)cc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C21H19ClN4O3/c22-14-3-1-11(2-4-14)12-7-15(8-12)24-19(27)13-9-17-18(23-10-13)26(16-5-6-16)21(29)25-20(17)28/h1-4,9-10,12,15-16H,5-8H2,(H,24,27)(H,25,28,29)
InChIKeyOQPBYDOMHKLKRN-UHFFFAOYSA-N
MW410.86 g/mol
LogP2.75
Rot. Bonds4

About N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 139007770) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID139007770
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CC(c2ccc(Cl)cc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C21H19ClN4O3/c22-14-3-1-11(2-4-14)12-7-15(8-12)24-19(27)13-9-17-18(23-10-13)26(16-5-6-16)21(29)25-20(17)28/h1-4,9-10,12,15-16H,5-8H2,(H,24,27)(H,25,28,29)
InChIKeyOQPBYDOMHKLKRN-UHFFFAOYSA-N
XLogP2.75
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-2,4-dioxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55553880
N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134046812
1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 39618851
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 154800554
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552138
1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36769260
N-[(4-bromophenyl)-cyclobutylmethyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55978810
1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36805442
N-(5-acetamido-2-methoxyphenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065151
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36767889

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 139007770) is N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NC1CC(c2ccc(Cl)cc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OQPBYDOMHKLKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-14-3-1-11(2-4-14)12-7-15(8-12)24-19(27)13-9-17-18(23-10-13)26(16-5-6-16)21(29)25-20(17)28/h1-4,9-10,12,15-16H,5-8H2,(H,24,27)(H,25,28,29).
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 139007770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).