N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride

C18H21Cl2N3O4 — CID 119881889

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)C1COCCN1
InChIInChI=1S/C18H19N3O4.2ClH/c22-18(14-11-23-7-6-19-14)21-17-3-1-2-13(20-17)12-4-5-15-16(10-12)25-9-8-24-15;;/h1-5,10,14,19H,6-9,11H2,(H,20,21,22);2*1H
InChIKeySFDPOSYQPPQCBV-UHFFFAOYSA-N
MW414.29 g/mol
LogP2.29
Rot. Bonds3

About N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride

N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119881889) has the molecular formula C18H21Cl2N3O4 and a molecular weight of 414.29 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119881889
Molecular FormulaC18H21Cl2N3O4
Molecular Weight414.29 g/mol
Exact Mass413.09
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)C1COCCN1
InChIInChI=1S/C18H19N3O4.2ClH/c22-18(14-11-23-7-6-19-14)21-17-3-1-2-13(20-17)12-4-5-15-16(10-12)25-9-8-24-15;;/h1-5,10,14,19H,6-9,11H2,(H,20,21,22);2*1H
InChIKeySFDPOSYQPPQCBV-UHFFFAOYSA-N
XLogP2.29
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride (CID 119881889) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)C1COCCN1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is SFDPOSYQPPQCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4.2ClH/c22-18(14-11-23-7-6-19-14)21-17-3-1-2-13(20-17)12-4-5-15-16(10-12)25-9-8-24-15;;/h1-5,10,14,19H,6-9,11H2,(H,20,21,22);2*1H.
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 414.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119881889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).