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

C21H21N3O — CID 109232401

IUPACN-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NCc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-15-6-8-19(9-7-15)24-21(25)18-11-20(14-22-13-18)23-12-17-5-3-4-16(2)10-17/h3-11,13-14,23H,12H2,1-2H3,(H,24,25)
InChIKeyBTAVPBMFPAVLRH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds5

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

N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232401) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232401
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NCc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-15-6-8-19(9-7-15)24-21(25)18-11-20(14-22-13-18)23-12-17-5-3-4-16(2)10-17/h3-11,13-14,23H,12H2,1-2H3,(H,24,25)
InChIKeyBTAVPBMFPAVLRH-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232722
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232401) is N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(NCc3cccc(C)c3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is BTAVPBMFPAVLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-6-8-19(9-7-15)24-21(25)18-11-20(14-22-13-18)23-12-17-5-3-4-16(2)10-17/h3-11,13-14,23H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).