[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C19H21N3O3 — CID 95229420

IUPAC[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESNC[C@@H]1Cc2cccc(-c3ccc(C(=O)N4CCOCC4)cn3)c2O1
InChIInChI=1S/C19H21N3O3/c20-11-15-10-13-2-1-3-16(18(13)25-15)17-5-4-14(12-21-17)19(23)22-6-8-24-9-7-22/h1-5,12,15H,6-11,20H2/t15-/m0/s1
InChIKeyBOPHWHGQNBDYPD-HNNXBMFYSA-N
MW339.39 g/mol
LogP1.48
Rot. Bonds3

About [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 95229420) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID95229420
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESNC[C@@H]1Cc2cccc(-c3ccc(C(=O)N4CCOCC4)cn3)c2O1
InChIInChI=1S/C19H21N3O3/c20-11-15-10-13-2-1-3-16(18(13)25-15)17-5-4-14(12-21-17)19(23)22-6-8-24-9-7-22/h1-5,12,15H,6-11,20H2/t15-/m0/s1
InChIKeyBOPHWHGQNBDYPD-HNNXBMFYSA-N
XLogP1.48
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
CID 56702059
3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 123650886
[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 137335621
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118760389
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
N-[2-(hydroxymethyl)-3-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 90008729
[6-[3-[4-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 71242961
methyl 6-[2-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate
CID 45221657

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 95229420) is [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone is NC[C@@H]1Cc2cccc(-c3ccc(C(=O)N4CCOCC4)cn3)c2O1.
What is the InChIKey of [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is BOPHWHGQNBDYPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-11-15-10-13-2-1-3-16(18(13)25-15)17-5-4-14(12-21-17)19(23)22-6-8-24-9-7-22/h1-5,12,15H,6-11,20H2/t15-/m0/s1.
What are the key properties of [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 339.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95229420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).