N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide

C19H21N3O3 — CID 37298475

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H21N3O3/c23-19(21-13-16-11-14-3-1-2-4-17(14)25-16)15-5-6-18(20-12-15)22-7-9-24-10-8-22/h1-6,12,16H,7-11,13H2,(H,21,23)/t16-/m1/s1
InChIKeyBMZLKZGSWAGEJO-MRXNPFEDSA-N
MW339.39 g/mol
LogP1.65
Rot. Bonds4

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 37298475) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID37298475
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H21N3O3/c23-19(21-13-16-11-14-3-1-2-4-17(14)25-16)15-5-6-18(20-12-15)22-7-9-24-10-8-22/h1-6,12,16H,7-11,13H2,(H,21,23)/t16-/m1/s1
InChIKeyBMZLKZGSWAGEJO-MRXNPFEDSA-N
XLogP1.65
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 37298475) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is BMZLKZGSWAGEJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(21-13-16-11-14-3-1-2-4-17(14)25-16)15-5-6-18(20-12-15)22-7-9-24-10-8-22/h1-6,12,16H,7-11,13H2,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 37298475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).