7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate

C56H72N12O10 — CID 160948338

IUPAC7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2ccc(=O)n(CCN3CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1.Nc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C33H44N6O7.C23H28N6O3/c1-32(2,3)45-30(41)36-22-17-26-25(35-19-22)7-8-29(40)38(26)14-13-37-11-9-24(10-12-37)39(31(42)46-33(4,5)6)21-23-18-27-28(20-34-23)44-16-15-43-27;24-16-11-20-19(27-13-16)1-2-23(30)29(20)8-7-28-5-3-17(4-6-28)25-14-18-12-21-22(15-26-18)32-10-9-31-21/h7-8,17-20,24H,9-16,21H2,1-6H3,(H,36,41);1-2,11-13,15,17,25H,3-10,14,24H2
InChIKeySVKLRFLDMUKJDK-UHFFFAOYSA-N
MW1073.27 g/mol
LogP6.21
Rot. Bonds13

About 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate

7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate (PubChem CID 160948338) has the molecular formula C56H72N12O10 and a molecular weight of 1073.27 g/mol. Its IUPAC name is 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate
PubChem CID160948338
Molecular FormulaC56H72N12O10
Molecular Weight1073.27 g/mol
Exact Mass1072.55
IUPAC Name7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2ccc(=O)n(CCN3CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1.Nc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C33H44N6O7.C23H28N6O3/c1-32(2,3)45-30(41)36-22-17-26-25(35-19-22)7-8-29(40)38(26)14-13-37-11-9-24(10-12-37)39(31(42)46-33(4,5)6)21-23-18-27-28(20-34-23)44-16-15-43-27;24-16-11-20-19(27-13-16)1-2-23(30)29(20)8-7-28-5-3-17(4-6-28)25-14-18-12-21-22(15-26-18)32-10-9-31-21/h7-8,17-20,24H,9-16,21H2,1-6H3,(H,36,41);1-2,11-13,15,17,25H,3-10,14,24H2
InChIKeySVKLRFLDMUKJDK-UHFFFAOYSA-N
XLogP6.21
TPSA244.88 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.27
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate?
The IUPAC name of 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate (CID 160948338) is 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc2ccc(=O)n(CCN3CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1.Nc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.
What is the InChIKey of 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate?
The InChIKey is SVKLRFLDMUKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O7.C23H28N6O3/c1-32(2,3)45-30(41)36-22-17-26-25(35-19-22)7-8-29(40)38(26)14-13-37-11-9-24(10-12-37)39(31(42)46-33(4,5)6)21-23-18-27-28(20-34-23)44-16-15-43-27;24-16-11-20-19(27-13-16)1-2-23(30)29(20)8-7-28-5-3-17(4-6-28)25-14-18-12-21-22(15-26-18)32-10-9-31-21/h7-8,17-20,24H,9-16,21H2,1-6H3,(H,36,41);1-2,11-13,15,17,25H,3-10,14,24H2.
What are the key properties of 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate?
7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate has a molecular weight of 1073.27 g/mol, XLogP of 6.21, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 160948338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).