[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone

C16H24N4O2 — CID 154758780

IUPAC[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cn1
InChIInChI=1S/C16H24N4O2/c1-12-14(19-7-9-22-10-8-19)5-6-20(12)16(21)13-3-4-15(17-2)18-11-13/h3-4,11-12,14H,5-10H2,1-2H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyJLGNVYWHELAGTL-TZMCWYRMSA-N
MW304.39 g/mol
LogP1.06
Rot. Bonds3

About [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone

[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 154758780) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID154758780
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cn1
InChIInChI=1S/C16H24N4O2/c1-12-14(19-7-9-22-10-8-19)5-6-20(12)16(21)13-3-4-15(17-2)18-11-13/h3-4,11-12,14H,5-10H2,1-2H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyJLGNVYWHELAGTL-TZMCWYRMSA-N
XLogP1.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 154758780) is [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone is CNc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cn1.
What is the InChIKey of [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is JLGNVYWHELAGTL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-14(19-7-9-22-10-8-19)5-6-20(12)16(21)13-3-4-15(17-2)18-11-13/h3-4,11-12,14H,5-10H2,1-2H3,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone?
[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 154758780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).