(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C19H23Cl2N3O3 — CID 120941445

IUPAC(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.Cl.Cl
InChIInChI=1S/C19H21N3O3.2ClH/c1-12-18(20-8-10-24-12)19(23)22-17-4-2-3-15(21-17)13-5-6-16-14(11-13)7-9-25-16;;/h2-6,11-12,18,20H,7-10H2,1H3,(H,21,22,23);2*1H/t12-,18+;;/m1../s1
InChIKeyNSVARLXPTJBWSD-FIWZRGJFSA-N
MW412.32 g/mol
LogP2.84
Rot. Bonds3

About (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120941445) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120941445
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.Cl.Cl
InChIInChI=1S/C19H21N3O3.2ClH/c1-12-18(20-8-10-24-12)19(23)22-17-4-2-3-15(21-17)13-5-6-16-14(11-13)7-9-25-16;;/h2-6,11-12,18,20H,7-10H2,1H3,(H,21,22,23);2*1H/t12-,18+;;/m1../s1
InChIKeyNSVARLXPTJBWSD-FIWZRGJFSA-N
XLogP2.84
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941450
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
(2R,3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932530
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120646550
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
(2R,3S)-2-methyl-N-pyridin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937700
(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937933
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 167958842
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929298

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120941445) is (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is NSVARLXPTJBWSD-FIWZRGJFSA-N. The full InChI is InChI=1S/C19H21N3O3.2ClH/c1-12-18(20-8-10-24-12)19(23)22-17-4-2-3-15(21-17)13-5-6-16-14(11-13)7-9-25-16;;/h2-6,11-12,18,20H,7-10H2,1H3,(H,21,22,23);2*1H/t12-,18+;;/m1../s1.
What are the key properties of (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 412.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120941445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).