N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C20H20N4O4 — CID 86930470

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3Cc4ccccc4O3)cnc21
InChIInChI=1S/C20H20N4O4/c1-2-7-24-17-15(19(26)23-20(24)27)9-13(10-21-17)18(25)22-11-14-8-12-5-3-4-6-16(12)28-14/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyXIRZLSXAXSSWSW-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.23
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 86930470) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID86930470
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3Cc4ccccc4O3)cnc21
InChIInChI=1S/C20H20N4O4/c1-2-7-24-17-15(19(26)23-20(24)27)9-13(10-21-17)18(25)22-11-14-8-12-5-3-4-6-16(12)28-14/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyXIRZLSXAXSSWSW-UHFFFAOYSA-N
XLogP1.23
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2,4-dioxo-1-propyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553541
N-(2-ethoxyethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 87046001
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 47021191
2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55555466
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 78844910
2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 51932414
2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55980838
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
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 86930470) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3Cc4ccccc4O3)cnc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XIRZLSXAXSSWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-7-24-17-15(19(26)23-20(24)27)9-13(10-21-17)18(25)22-11-14-8-12-5-3-4-6-16(12)28-14/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,22,25)(H,23,26,27).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 86930470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).