N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide

C19H23N3O3 — CID 71893521

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCOC(c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C19H23N3O3/c1-13-10-14(2)21-18(23)16(13)11-20-19(24)22-8-9-25-17(12-22)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJNZLPLMRTPSRIH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.27
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide (PubChem CID 71893521) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide
PubChem CID71893521
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCOC(c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C19H23N3O3/c1-13-10-14(2)21-18(23)16(13)11-20-19(24)22-8-9-25-17(12-22)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJNZLPLMRTPSRIH-UHFFFAOYSA-N
XLogP2.27
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide (CID 71893521) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide is Cc1cc(C)c(CNC(=O)N2CCOC(c3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is JNZLPLMRTPSRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-10-14(2)21-18(23)16(13)11-20-19(24)22-8-9-25-17(12-22)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 71893521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).