N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C24H20N4O4 — CID 167750663

IUPACN-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C24H20N4O4/c1-13-10-18(26-21-20(13)23(30)28-24(31)27-21)22(29)25-12-14-2-4-15(5-3-14)16-6-7-19-17(11-16)8-9-32-19/h2-7,10-11H,8-9,12H2,1H3,(H,25,29)(H2,26,27,28,30,31)
InChIKeyFWKJMWNZCCVCHY-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.45
Rot. Bonds4

About N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 167750663) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID167750663
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C24H20N4O4/c1-13-10-18(26-21-20(13)23(30)28-24(31)27-21)22(29)25-12-14-2-4-15(5-3-14)16-6-7-19-17(11-16)8-9-32-19/h2-7,10-11H,8-9,12H2,1H3,(H,25,29)(H2,26,27,28,30,31)
InChIKeyFWKJMWNZCCVCHY-UHFFFAOYSA-N
XLogP2.45
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
CID 115600454
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220755
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
CID 119758146
sodium 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4-oxobutanoate
CID 167799892
1-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2,3-dimethylguanidine
CID 75493790
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 49012669
6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 170503224
2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988039
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119072224
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide
CID 142891379

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 167750663) is N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is FWKJMWNZCCVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-13-10-18(26-21-20(13)23(30)28-24(31)27-21)22(29)25-12-14-2-4-15(5-3-14)16-6-7-19-17(11-16)8-9-32-19/h2-7,10-11H,8-9,12H2,1H3,(H,25,29)(H2,26,27,28,30,31).
What are the key properties of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 167750663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).