6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one

C15H17N3O2 — CID 9397818

IUPAC6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc([C@@H]3C[C@H]3C)o2)c(=O)c1
InChIInChI=1S/C15H17N3O2/c1-9-5-14(16)18(15(19)6-9)17-8-11-3-4-13(20-11)12-7-10(12)2/h3-6,8,10,12H,7,16H2,1-2H3/b17-8-/t10-,12-/m1/s1
InChIKeyLDFKQUALSSMXSF-BCQGWZOESA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds3

About 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one

6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one (PubChem CID 9397818) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
PubChem CID9397818
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc([C@@H]3C[C@H]3C)o2)c(=O)c1
InChIInChI=1S/C15H17N3O2/c1-9-5-14(16)18(15(19)6-9)17-8-11-3-4-13(20-11)12-7-10(12)2/h3-6,8,10,12H,7,16H2,1-2H3/b17-8-/t10-,12-/m1/s1
InChIKeyLDFKQUALSSMXSF-BCQGWZOESA-N
XLogP2.34
TPSA73.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one?
The IUPAC name of 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one (CID 9397818) is 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one.
What is the SMILES notation for 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one?
The canonical SMILES for 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one is Cc1cc(N)n(/N=C\c2ccc([C@@H]3C[C@H]3C)o2)c(=O)c1.
What is the InChIKey of 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one?
The InChIKey is LDFKQUALSSMXSF-BCQGWZOESA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-14(16)18(15(19)6-9)17-8-11-3-4-13(20-11)12-7-10(12)2/h3-6,8,10,12H,7,16H2,1-2H3/b17-8-/t10-,12-/m1/s1.
What are the key properties of 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one?
6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one is sourced from PubChem (CID 9397818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).