N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid

C24H29N5O5 — CID 69378082

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
SMILESCOc1ccc2nccc(NC(=O)O)c2n1.c1cc2c(nc1CNC1CCCCC1)OCCO2
InChIInChI=1S/C14H20N2O2.C10H9N3O3/c1-2-4-11(5-3-1)15-10-12-6-7-13-14(16-12)18-9-8-17-13;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-7,11,15H,1-5,8-10H2;2-5H,1H3,(H,11,12)(H,14,15)
InChIKeyFRIFCFICZXTUPW-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.00
Rot. Bonds5

About N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid

N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid (PubChem CID 69378082) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
PubChem CID69378082
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
SMILESCOc1ccc2nccc(NC(=O)O)c2n1.c1cc2c(nc1CNC1CCCCC1)OCCO2
InChIInChI=1S/C14H20N2O2.C10H9N3O3/c1-2-4-11(5-3-1)15-10-12-6-7-13-14(16-12)18-9-8-17-13;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-7,11,15H,1-5,8-10H2;2-5H,1H3,(H,11,12)(H,14,15)
InChIKeyFRIFCFICZXTUPW-UHFFFAOYSA-N
XLogP4.00
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid (CID 69378082) is N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid is COc1ccc2nccc(NC(=O)O)c2n1.c1cc2c(nc1CNC1CCCCC1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The InChIKey is FRIFCFICZXTUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C10H9N3O3/c1-2-4-11(5-3-1)15-10-12-6-7-13-14(16-12)18-9-8-17-13;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-7,11,15H,1-5,8-10H2;2-5H,1H3,(H,11,12)(H,14,15).
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid has a molecular weight of 467.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid is sourced from PubChem (CID 69378082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).