2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid

C33H39N5O7 — CID 68598274

IUPAC2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2c(n1)N(CC(COCc1ccccc1)N1CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)O)CC1)C(=O)CC2
InChIInChI=1S/C33H39N5O7/c1-42-30-9-7-24-8-10-31(39)38(32(24)35-30)20-27(22-43-21-23-5-3-2-4-6-23)36-13-11-26(12-14-36)37(33(40)41)19-25-17-28-29(18-34-25)45-16-15-44-28/h2-7,9,17-18,26-27H,8,10-16,19-22H2,1H3,(H,40,41)
InChIKeyUIZZJYJXSIRBTP-UHFFFAOYSA-N
MW617.70 g/mol
LogP3.77
Rot. Bonds11

About 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid (PubChem CID 68598274) has the molecular formula C33H39N5O7 and a molecular weight of 617.70 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid
PubChem CID68598274
Molecular FormulaC33H39N5O7
Molecular Weight617.70 g/mol
Exact Mass617.28
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2c(n1)N(CC(COCc1ccccc1)N1CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)O)CC1)C(=O)CC2
InChIInChI=1S/C33H39N5O7/c1-42-30-9-7-24-8-10-31(39)38(32(24)35-30)20-27(22-43-21-23-5-3-2-4-6-23)36-13-11-26(12-14-36)37(33(40)41)19-25-17-28-29(18-34-25)45-16-15-44-28/h2-7,9,17-18,26-27H,8,10-16,19-22H2,1H3,(H,40,41)
InChIKeyUIZZJYJXSIRBTP-UHFFFAOYSA-N
XLogP3.77
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid (CID 68598274) is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid is COc1ccc2c(n1)N(CC(COCc1ccccc1)N1CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)O)CC1)C(=O)CC2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid?
The InChIKey is UIZZJYJXSIRBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O7/c1-42-30-9-7-24-8-10-31(39)38(32(24)35-30)20-27(22-43-21-23-5-3-2-4-6-23)36-13-11-26(12-14-36)37(33(40)41)19-25-17-28-29(18-34-25)45-16-15-44-28/h2-7,9,17-18,26-27H,8,10-16,19-22H2,1H3,(H,40,41).
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid?
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid has a molecular weight of 617.70 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68598274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).