[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone

C18H19N3O4 — CID 109206408

IUPAC[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc3c(c2)OCO3)ccn1)N1CCOCC1
InChIInChI=1S/C18H19N3O4/c22-18(21-5-7-23-8-6-21)15-10-14(3-4-19-15)20-11-13-1-2-16-17(9-13)25-12-24-16/h1-4,9-10H,5-8,11-12H2,(H,19,20)
InChIKeyMUEKQSHGEFJEBW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.89
Rot. Bonds4

About [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone

[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109206408) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109206408
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(NCc2ccc3c(c2)OCO3)ccn1)N1CCOCC1
InChIInChI=1S/C18H19N3O4/c22-18(21-5-7-23-8-6-21)15-10-14(3-4-19-15)20-11-13-1-2-16-17(9-13)25-12-24-16/h1-4,9-10H,5-8,11-12H2,(H,19,20)
InChIKeyMUEKQSHGEFJEBW-UHFFFAOYSA-N
XLogP1.89
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109212442
[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324376
[4-(furan-2-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206395
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201545
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
CID 109212473
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299158
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
4-(1,3-benzodioxol-5-ylmethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206751

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 109206408) is [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cc(NCc2ccc3c(c2)OCO3)ccn1)N1CCOCC1.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MUEKQSHGEFJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(21-5-7-23-8-6-21)15-10-14(3-4-19-15)20-11-13-1-2-16-17(9-13)25-12-24-16/h1-4,9-10H,5-8,11-12H2,(H,19,20).
What are the key properties of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone?
[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 341.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109206408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).