4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C25H28N4O5 — CID 57397589

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(c4)OCCO5)CC3)c2n1
InChIInChI=1S/C25H28N4O5/c1-32-22-5-3-18-23(29-22)19(8-11-26-18)28-24(30)25(31)9-6-17(7-10-25)27-15-16-2-4-20-21(14-16)34-13-12-33-20/h2-5,8,11,14,17,27,31H,6-7,9-10,12-13,15H2,1H3,(H,26,28,30)
InChIKeyNXOSGVGDRMPYMU-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.81
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 57397589) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID57397589
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(c4)OCCO5)CC3)c2n1
InChIInChI=1S/C25H28N4O5/c1-32-22-5-3-18-23(29-22)19(8-11-26-18)28-24(30)25(31)9-6-17(7-10-25)27-15-16-2-4-20-21(14-16)34-13-12-33-20/h2-5,8,11,14,17,27,31H,6-7,9-10,12-13,15H2,1H3,(H,26,28,30)
InChIKeyNXOSGVGDRMPYMU-UHFFFAOYSA-N
XLogP2.81
TPSA114.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 57397589) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(c4)OCCO5)CC3)c2n1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is NXOSGVGDRMPYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-32-22-5-3-18-23(29-22)19(8-11-26-18)28-24(30)25(31)9-6-17(7-10-25)27-15-16-2-4-20-21(14-16)34-13-12-33-20/h2-5,8,11,14,17,27,31H,6-7,9-10,12-13,15H2,1H3,(H,26,28,30).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 57397589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).