N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide

C25H27N3O2 — CID 24532594

IUPACN,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O2/c1-19-23(12-13-24(26-19)21-6-4-3-5-7-21)25(29)27(2)18-20-8-10-22(11-9-20)28-14-16-30-17-15-28/h3-13H,14-18H2,1-2H3
InChIKeyXJAFTBCNLLXMKC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.17
Rot. Bonds5

About N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide

N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide (PubChem CID 24532594) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
PubChem CID24532594
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O2/c1-19-23(12-13-24(26-19)21-6-4-3-5-7-21)25(29)27(2)18-20-8-10-22(11-9-20)28-14-16-30-17-15-28/h3-13H,14-18H2,1-2H3
InChIKeyXJAFTBCNLLXMKC-UHFFFAOYSA-N
XLogP4.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide (CID 24532594) is N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is XJAFTBCNLLXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19-23(12-13-24(26-19)21-6-4-3-5-7-21)25(29)27(2)18-20-8-10-22(11-9-20)28-14-16-30-17-15-28/h3-13H,14-18H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide?
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 24532594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).