6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide

C17H16N4O3 — CID 91950156

IUPAC6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESC=CCn1cnc2oc(C)c(C(=O)NCc3ccccn3)c2c1=O
InChIInChI=1S/C17H16N4O3/c1-3-8-21-10-20-16-14(17(21)23)13(11(2)24-16)15(22)19-9-12-6-4-5-7-18-12/h3-7,10H,1,8-9H2,2H3,(H,19,22)
InChIKeyVFAOSFGWQDUEFZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.81
Rot. Bonds5

About 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91950156) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID91950156
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESC=CCn1cnc2oc(C)c(C(=O)NCc3ccccn3)c2c1=O
InChIInChI=1S/C17H16N4O3/c1-3-8-21-10-20-16-14(17(21)23)13(11(2)24-16)15(22)19-9-12-6-4-5-7-18-12/h3-7,10H,1,8-9H2,2H3,(H,19,22)
InChIKeyVFAOSFGWQDUEFZ-UHFFFAOYSA-N
XLogP1.81
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 71035495
N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 20925104
N-ethyl-6-methyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxamide
CID 118264766
6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950187
6-methyl-4-oxo-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746696
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949893
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077
3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 3520568
N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949886

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide (CID 91950156) is 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide is C=CCn1cnc2oc(C)c(C(=O)NCc3ccccn3)c2c1=O.
What is the InChIKey of 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VFAOSFGWQDUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-8-21-10-20-16-14(17(21)23)13(11(2)24-16)15(22)19-9-12-6-4-5-7-18-12/h3-7,10H,1,8-9H2,2H3,(H,19,22).
What are the key properties of 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91950156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).