N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C23H29N3O3 — CID 110232871

IUPACN,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)C(=O)N1CCOC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H29N3O3/c1-17(2)21(27)26-12-13-29-23(16-26,22(28)25(3)4)14-18-8-5-6-10-20(18)19-9-7-11-24-15-19/h5-11,15,17H,12-14,16H2,1-4H3
InChIKeyFWVXPECQJPUCJV-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.63
Rot. Bonds5

About N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232871) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232871
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)C(=O)N1CCOC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1
InChIInChI=1S/C23H29N3O3/c1-17(2)21(27)26-12-13-29-23(16-26,22(28)25(3)4)14-18-8-5-6-10-20(18)19-9-7-11-24-15-19/h5-11,15,17H,12-14,16H2,1-4H3
InChIKeyFWVXPECQJPUCJV-UHFFFAOYSA-N
XLogP2.63
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232865
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553113
2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605696
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232871) is N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CC(C)C(=O)N1CCOC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is FWVXPECQJPUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(2)21(27)26-12-13-29-23(16-26,22(28)25(3)4)14-18-8-5-6-10-20(18)19-9-7-11-24-15-19/h5-11,15,17H,12-14,16H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).