N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C17H18N4O3 — CID 128999864

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCn1cnc2c(c1=O)CCN(C(=O)NC1COc3ccccc31)C2
InChIInChI=1S/C17H18N4O3/c1-20-10-18-13-8-21(7-6-12(13)16(20)22)17(23)19-14-9-24-15-5-3-2-4-11(14)15/h2-5,10,14H,6-9H2,1H3,(H,19,23)
InChIKeyMNEQWJPHIIGQSC-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.98
Rot. Bonds1

About N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 128999864) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID128999864
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCn1cnc2c(c1=O)CCN(C(=O)NC1COc3ccccc31)C2
InChIInChI=1S/C17H18N4O3/c1-20-10-18-13-8-21(7-6-12(13)16(20)22)17(23)19-14-9-24-15-5-3-2-4-11(14)15/h2-5,10,14H,6-9H2,1H3,(H,19,23)
InChIKeyMNEQWJPHIIGQSC-UHFFFAOYSA-N
XLogP0.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 128999864) is N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is Cn1cnc2c(c1=O)CCN(C(=O)NC1COc3ccccc31)C2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is MNEQWJPHIIGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-20-10-18-13-8-21(7-6-12(13)16(20)22)17(23)19-14-9-24-15-5-3-2-4-11(14)15/h2-5,10,14H,6-9H2,1H3,(H,19,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 128999864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).