1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C20H22N4O3 — CID 42943182

IUPAC1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCC(NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-3-8-16(13-9-6-5-7-10-13)22-18(25)14-11-15-17(21-12-14)24(4-2)20(27)23-19(15)26/h5-7,9-12,16H,3-4,8H2,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyKQMQXLVICQIORT-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.38
Rot. Bonds6

About 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide

1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42943182) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID42943182
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCC(NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-3-8-16(13-9-6-5-7-10-13)22-18(25)14-11-15-17(21-12-14)24(4-2)20(27)23-19(15)26/h5-7,9-12,16H,3-4,8H2,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyKQMQXLVICQIORT-UHFFFAOYSA-N
XLogP2.38
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2,4-dioxo-N,N-dipropylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36715420
2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 134047991
(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 120614136
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 86930470
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36709707
2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55555466
N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553052
1-phenylpropyl 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 167981393

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 42943182) is 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide is CCCC(NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC)c1ccccc1.
What is the InChIKey of 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KQMQXLVICQIORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-8-16(13-9-6-5-7-10-13)22-18(25)14-11-15-17(21-12-14)24(4-2)20(27)23-19(15)26/h5-7,9-12,16H,3-4,8H2,1-2H3,(H,22,25)(H,23,26,27).
What are the key properties of 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42943182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).