N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide

C25H32N4O3 — CID 52714764

IUPACN-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21
InChIInChI=1S/C25H32N4O3/c1-15(2)13-29-22-21(23(30)27-25(29)32)19(12-20(26-22)16(3)4)24(31)28(17(5)6)14-18-10-8-7-9-11-18/h7-12,15-17H,13-14H2,1-6H3,(H,27,30,32)
InChIKeyATVQHEBLKOILQQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.91
Rot. Bonds7

About N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide

N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 52714764) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID52714764
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21
InChIInChI=1S/C25H32N4O3/c1-15(2)13-29-22-21(23(30)27-25(29)32)19(12-20(26-22)16(3)4)24(31)28(17(5)6)14-18-10-8-7-9-11-18/h7-12,15-17H,13-14H2,1-6H3,(H,27,30,32)
InChIKeyATVQHEBLKOILQQ-UHFFFAOYSA-N
XLogP3.91
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39320124
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
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-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39638254
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
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-[2-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55991448
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 52649591
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
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 52714764) is N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21.
What is the InChIKey of N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ATVQHEBLKOILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-15(2)13-29-22-21(23(30)27-25(29)32)19(12-20(26-22)16(3)4)24(31)28(17(5)6)14-18-10-8-7-9-11-18/h7-12,15-17H,13-14H2,1-6H3,(H,27,30,32).
What are the key properties of N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide?
N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 52714764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).