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

C24H30N4O5 — CID 39298863

IUPACN-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1OC
InChIInChI=1S/C24H30N4O5/c1-12(2)11-28-21-20(23(30)27-24(28)31)15(9-16(25-21)13(3)4)22(29)26-17-10-19(33-7)18(32-6)8-14(17)5/h8-10,12-13H,11H2,1-7H3,(H,26,29)(H,27,30,31)
InChIKeyCNRLGRRUNVIXGN-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.44
Rot. Bonds7

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

N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39298863) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39298863
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1OC
InChIInChI=1S/C24H30N4O5/c1-12(2)11-28-21-20(23(30)27-24(28)31)15(9-16(25-21)13(3)4)22(29)26-17-10-19(33-7)18(32-6)8-14(17)5/h8-10,12-13H,11H2,1-7H3,(H,26,29)(H,27,30,31)
InChIKeyCNRLGRRUNVIXGN-UHFFFAOYSA-N
XLogP3.44
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39298863) is N-(4,5-dimethoxy-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-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is COc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CNRLGRRUNVIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-12(2)11-28-21-20(23(30)27-24(28)31)15(9-16(25-21)13(3)4)22(29)26-17-10-19(33-7)18(32-6)8-14(17)5/h8-10,12-13H,11H2,1-7H3,(H,26,29)(H,27,30,31).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39298863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).