N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C22H25ClN4O3 — CID 39676176

IUPACN-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C
InChIInChI=1S/C22H25ClN4O3/c1-11(2)10-27-19-18(21(29)26-22(27)30)15(9-17(24-19)12(3)4)20(28)25-16-7-6-14(23)8-13(16)5/h6-9,11-12H,10H2,1-5H3,(H,25,28)(H,26,29,30)
InChIKeyKSZDCXNCHDAKRI-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.08
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39676176) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39676176
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C
InChIInChI=1S/C22H25ClN4O3/c1-11(2)10-27-19-18(21(29)26-22(27)30)15(9-17(24-19)12(3)4)20(28)25-16-7-6-14(23)8-13(16)5/h6-9,11-12H,10H2,1-5H3,(H,25,28)(H,26,29,30)
InChIKeyKSZDCXNCHDAKRI-UHFFFAOYSA-N
XLogP4.08
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267329
N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39298863
1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582431
N-[2-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55991448
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676348
N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39856077
N-(1H-indazol-6-yl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 47092105
N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
1-ethyl-N-(5-fluoro-2-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297586
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39676176) is N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KSZDCXNCHDAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-11(2)10-27-19-18(21(29)26-22(27)30)15(9-17(24-19)12(3)4)20(28)25-16-7-6-14(23)8-13(16)5/h6-9,11-12H,10H2,1-5H3,(H,25,28)(H,26,29,30).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).