N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C22H23N3O — CID 109232216

IUPACN-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)NCc3cccc(C)c3)c2)cc1
InChIInChI=1S/C22H23N3O/c1-16-6-8-18(9-7-16)12-24-21-11-20(14-23-15-21)22(26)25-13-19-5-3-4-17(2)10-19/h3-11,14-15,24H,12-13H2,1-2H3,(H,25,26)
InChIKeyLJMJPNBXPFNQKF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.24
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232216) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232216
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)NCc3cccc(C)c3)c2)cc1
InChIInChI=1S/C22H23N3O/c1-16-6-8-18(9-7-16)12-24-21-11-20(14-23-15-21)22(26)25-13-19-5-3-4-17(2)10-19/h3-11,14-15,24H,12-13H2,1-2H3,(H,25,26)
InChIKeyLJMJPNBXPFNQKF-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109232494
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232216) is N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2cncc(C(=O)NCc3cccc(C)c3)c2)cc1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is LJMJPNBXPFNQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-6-8-18(9-7-16)12-24-21-11-20(14-23-15-21)22(26)25-13-19-5-3-4-17(2)10-19/h3-11,14-15,24H,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).