4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide

C19H24N4O2 — CID 110246615

IUPAC4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide
SMILESCN(C)c1ncccc1CN1CCOC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-22(2)18-15(7-6-10-20-18)13-23-11-12-25-17(14-23)19(24)21-16-8-4-3-5-9-16/h3-10,17H,11-14H2,1-2H3,(H,21,24)
InChIKeyXWJRHEMARMQYGH-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.99
Rot. Bonds5

About 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide

4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide (PubChem CID 110246615) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide
PubChem CID110246615
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide
SMILESCN(C)c1ncccc1CN1CCOC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-22(2)18-15(7-6-10-20-18)13-23-11-12-25-17(14-23)19(24)21-16-8-4-3-5-9-16/h3-10,17H,11-14H2,1-2H3,(H,21,24)
InChIKeyXWJRHEMARMQYGH-UHFFFAOYSA-N
XLogP1.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide?
The IUPAC name of 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide (CID 110246615) is 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide is CN(C)c1ncccc1CN1CCOC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide?
The InChIKey is XWJRHEMARMQYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(2)18-15(7-6-10-20-18)13-23-11-12-25-17(14-23)19(24)21-16-8-4-3-5-9-16/h3-10,17H,11-14H2,1-2H3,(H,21,24).
What are the key properties of 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide?
4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 110246615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).