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

C24H30N4O4 — CID 39320124

IUPACN-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCOc3ccccc3)cc(C(C)C)nc21
InChIInChI=1S/C24H30N4O4/c1-15(2)14-28-21-20(22(29)26-24(28)31)18(13-19(25-21)16(3)4)23(30)27(5)11-12-32-17-9-7-6-8-10-17/h6-10,13,15-16H,11-12,14H2,1-5H3,(H,26,29,31)
InChIKeyBBPOUZRKECNNQI-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.02
Rot. Bonds8

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

N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39320124) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39320124
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCOc3ccccc3)cc(C(C)C)nc21
InChIInChI=1S/C24H30N4O4/c1-15(2)14-28-21-20(22(29)26-24(28)31)18(13-19(25-21)16(3)4)23(30)27(5)11-12-32-17-9-7-6-8-10-17/h6-10,13,15-16H,11-12,14H2,1-5H3,(H,26,29,31)
InChIKeyBBPOUZRKECNNQI-UHFFFAOYSA-N
XLogP3.02
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 52714764
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
N-[2-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55991448
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55921428
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55984527
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39625352
7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39683908
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39638254
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
CID 34200106

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39320124) is N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCOc3ccccc3)cc(C(C)C)nc21.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BBPOUZRKECNNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15(2)14-28-21-20(22(29)26-24(28)31)18(13-19(25-21)16(3)4)23(30)27(5)11-12-32-17-9-7-6-8-10-17/h6-10,13,15-16H,11-12,14H2,1-5H3,(H,26,29,31).
What are the key properties of N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39320124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).