2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide

C20H19N3O3 — CID 45165848

IUPAC2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cc3cccc(-c4cncnc4)c3O2)c(C)o1
InChIInChI=1S/C20H19N3O3/c1-12-6-18(13(2)25-12)20(24)23-10-16-7-14-4-3-5-17(19(14)26-16)15-8-21-11-22-9-15/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,23,24)
InChIKeyPBYSSEMAFWRVRE-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.09
Rot. Bonds4

About 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide (PubChem CID 45165848) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide
PubChem CID45165848
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cc3cccc(-c4cncnc4)c3O2)c(C)o1
InChIInChI=1S/C20H19N3O3/c1-12-6-18(13(2)25-12)20(24)23-10-16-7-14-4-3-5-17(19(14)26-16)15-8-21-11-22-9-15/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,23,24)
InChIKeyPBYSSEMAFWRVRE-UHFFFAOYSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide (CID 45165848) is 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCC2Cc3cccc(-c4cncnc4)c3O2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide?
The InChIKey is PBYSSEMAFWRVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-6-18(13(2)25-12)20(24)23-10-16-7-14-4-3-5-17(19(14)26-16)15-8-21-11-22-9-15/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,23,24).
What are the key properties of 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 45165848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).