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

C23H26F2N4O4 — CID 39625352

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(OC(F)F)cc3)cc(C(C)C)nc21
InChIInChI=1S/C23H26F2N4O4/c1-12(2)11-29-19-18(21(31)28-23(29)32)16(9-17(27-19)13(3)4)20(30)26-10-14-5-7-15(8-6-14)33-22(24)25/h5-9,12-13,22H,10-11H2,1-4H3,(H,26,30)(H,28,31,32)
InChIKeyPQPDAICFBZXUKN-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.40
Rot. Bonds8

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

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39625352) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39625352
Molecular FormulaC23H26F2N4O4
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(OC(F)F)cc3)cc(C(C)C)nc21
InChIInChI=1S/C23H26F2N4O4/c1-12(2)11-29-19-18(21(31)28-23(29)32)16(9-17(27-19)13(3)4)20(30)26-10-14-5-7-15(8-6-14)33-22(24)25/h5-9,12-13,22H,10-11H2,1-4H3,(H,26,30)(H,28,31,32)
InChIKeyPQPDAICFBZXUKN-UHFFFAOYSA-N
XLogP3.40
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 36599162
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672
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
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
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
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55961453
N-(furan-3-ylmethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55962585
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
N-[2-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55991448
N-[(3-bromo-5-fluorophenyl)methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55978596

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39625352) is N-[[4-(difluoromethoxy)phenyl]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-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(OC(F)F)cc3)cc(C(C)C)nc21.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PQPDAICFBZXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-12(2)11-29-19-18(21(31)28-23(29)32)16(9-17(27-19)13(3)4)20(30)26-10-14-5-7-15(8-6-14)33-22(24)25/h5-9,12-13,22H,10-11H2,1-4H3,(H,26,30)(H,28,31,32).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39625352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).