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

C25H32N4O5 — CID 36599162

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1OC
InChIInChI=1S/C25H32N4O5/c1-7-34-19-9-8-16(10-20(19)33-6)12-26-23(30)17-11-18(15(4)5)27-22-21(17)24(31)28-25(32)29(22)13-14(2)3/h8-11,14-15H,7,12-13H2,1-6H3,(H,26,30)(H,28,31,32)
InChIKeySMEIMROPAUSBSS-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.20
Rot. Bonds9

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

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 36599162) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID36599162
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1OC
InChIInChI=1S/C25H32N4O5/c1-7-34-19-9-8-16(10-20(19)33-6)12-26-23(30)17-11-18(15(4)5)27-22-21(17)24(31)28-25(32)29(22)13-14(2)3/h8-11,14-15H,7,12-13H2,1-6H3,(H,26,30)(H,28,31,32)
InChIKeySMEIMROPAUSBSS-UHFFFAOYSA-N
XLogP3.20
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39625352
N-(5-chloro-2-methoxyphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267329
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 120654752
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55639059
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55620756
N-(furan-3-ylmethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55962585
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55963151
2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55964513

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 36599162) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCOc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SMEIMROPAUSBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-7-34-19-9-8-16(10-20(19)33-6)12-26-23(30)17-11-18(15(4)5)27-22-21(17)24(31)28-25(32)29(22)13-14(2)3/h8-11,14-15H,7,12-13H2,1-6H3,(H,26,30)(H,28,31,32).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 36599162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).