N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide

C26H23N3O — CID 55767309

IUPACN,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H23N3O/c1-19-22(16-17-23(28-19)20-11-5-3-6-12-20)26(30)29(2)25(21-13-7-4-8-14-21)24-15-9-10-18-27-24/h3-18,25H,1-2H3
InChIKeyMTMLGDZIBKTKRB-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.31
Rot. Bonds5

About N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide

N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 55767309) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID55767309
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H23N3O/c1-19-22(16-17-23(28-19)20-11-5-3-6-12-20)26(30)29(2)25(21-13-7-4-8-14-21)24-15-9-10-18-27-24/h3-18,25H,1-2H3
InChIKeyMTMLGDZIBKTKRB-UHFFFAOYSA-N
XLogP5.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide (CID 55767309) is N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C(c1ccccc1)c1ccccn1.
What is the InChIKey of N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MTMLGDZIBKTKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-19-22(16-17-23(28-19)20-11-5-3-6-12-20)26(30)29(2)25(21-13-7-4-8-14-21)24-15-9-10-18-27-24/h3-18,25H,1-2H3.
What are the key properties of N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide?
N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55767309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).