N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine

About N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine

N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine (PubChem CID 144875261) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine.

Molecular Properties

Compound Name	N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine
PubChem CID	144875261
Molecular Formula	C21H29N3O5
Molecular Weight	403.48 g/mol
Exact Mass	403.21
IUPAC Name	N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine
SMILES	CN.COc1ccc2c(c1)C13CCN(C)C(C2=O)C1(O)CCC(C(=O)NC=O)C3
InChI	InChI=1S/C20H24N2O5.CH5N/c1-22-8-7-19-10-12(18(25)21-11-23)5-6-20(19,26)17(22)16(24)14-4-3-13(27-2)9-15(14)19;1-2/h3-4,9,11-12,17,26H,5-8,10H2,1-2H3,(H,21,23,25);2H2,1H3
InChIKey	GHYAXBLDVLNTBB-UHFFFAOYSA-N
XLogP	0.21
TPSA	121.96 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine?

The IUPAC name of N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine (CID 144875261) is N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine.

What is the SMILES notation for N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine?

The canonical SMILES for N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine is CN.COc1ccc2c(c1)C13CCN(C)C(C2=O)C1(O)CCC(C(=O)NC=O)C3.

What is the InChIKey of N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine?

The InChIKey is GHYAXBLDVLNTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5.CH5N/c1-22-8-7-19-10-12(18(25)21-11-23)5-6-20(19,26)17(22)16(24)14-4-3-13(27-2)9-15(14)19;1-2/h3-4,9,11-12,17,26H,5-8,10H2,1-2H3,(H,21,23,25);2H2,1H3.

What are the key properties of N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine?

N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine has a molecular weight of 403.48 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-formyl-10-hydroxy-4-methoxy-17-methyl-8-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13-carboxamide;methanamine is sourced from PubChem (CID 144875261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).