N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide

C17H19N5O3 — CID 154775676

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCOc1ncnc2c1CN(CC(=O)Nc1oc(C)c(C)c1C#N)CC2
InChIInChI=1S/C17H19N5O3/c1-10-11(2)25-17(12(10)6-18)21-15(23)8-22-5-4-14-13(7-22)16(24-3)20-9-19-14/h9H,4-5,7-8H2,1-3H3,(H,21,23)
InChIKeyDTBALIYQERRVTN-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.56
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 154775676) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID154775676
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCOc1ncnc2c1CN(CC(=O)Nc1oc(C)c(C)c1C#N)CC2
InChIInChI=1S/C17H19N5O3/c1-10-11(2)25-17(12(10)6-18)21-15(23)8-22-5-4-14-13(7-22)16(24-3)20-9-19-14/h9H,4-5,7-8H2,1-3H3,(H,21,23)
InChIKeyDTBALIYQERRVTN-UHFFFAOYSA-N
XLogP1.56
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 38125978
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396
2-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 86773101
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 95978164
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802758
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 112807438
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 16595951
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760304
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86773664

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 154775676) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide is COc1ncnc2c1CN(CC(=O)Nc1oc(C)c(C)c1C#N)CC2.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is DTBALIYQERRVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-11(2)25-17(12(10)6-18)21-15(23)8-22-5-4-14-13(7-22)16(24-3)20-9-19-14/h9H,4-5,7-8H2,1-3H3,(H,21,23).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 154775676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).