4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C24H27N5O5 — CID 57394046

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cnc5c(c4)OCCO5)CC3)c2n1
InChIInChI=1S/C24H27N5O5/c1-32-20-3-2-17-21(29-20)18(6-9-25-17)28-23(30)24(31)7-4-16(5-8-24)26-13-15-12-19-22(27-14-15)34-11-10-33-19/h2-3,6,9,12,14,16,26,31H,4-5,7-8,10-11,13H2,1H3,(H,25,28,30)
InChIKeyWOGGPRMRZBMKOI-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.21
Rot. Bonds6

About 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 57394046) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID57394046
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cnc5c(c4)OCCO5)CC3)c2n1
InChIInChI=1S/C24H27N5O5/c1-32-20-3-2-17-21(29-20)18(6-9-25-17)28-23(30)24(31)7-4-16(5-8-24)26-13-15-12-19-22(27-14-15)34-11-10-33-19/h2-3,6,9,12,14,16,26,31H,4-5,7-8,10-11,13H2,1H3,(H,25,28,30)
InChIKeyWOGGPRMRZBMKOI-UHFFFAOYSA-N
XLogP2.21
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 57394046) is 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-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]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cnc5c(c4)OCCO5)CC3)c2n1.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is WOGGPRMRZBMKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-32-20-3-2-17-21(29-20)18(6-9-25-17)28-23(30)24(31)7-4-16(5-8-24)26-13-15-12-19-22(27-14-15)34-11-10-33-19/h2-3,6,9,12,14,16,26,31H,4-5,7-8,10-11,13H2,1H3,(H,25,28,30).
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 57394046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).