5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide

C22H23N3O — CID 109232350

IUPAC5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O/c1-16-7-6-8-18(11-16)13-24-21-12-20(14-23-15-21)22(26)25-17(2)19-9-4-3-5-10-19/h3-12,14-15,17,24H,13H2,1-2H3,(H,25,26)
InChIKeyADKOMRKHWLDIKQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.49
Rot. Bonds6

About 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide

5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109232350) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109232350
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O/c1-16-7-6-8-18(11-16)13-24-21-12-20(14-23-15-21)22(26)25-17(2)19-9-4-3-5-10-19/h3-12,14-15,17,24H,13H2,1-2H3,(H,25,26)
InChIKeyADKOMRKHWLDIKQ-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109232350) is 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide is Cc1cccc(CNc2cncc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ADKOMRKHWLDIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-7-6-8-18(11-16)13-24-21-12-20(14-23-15-21)22(26)25-17(2)19-9-4-3-5-10-19/h3-12,14-15,17,24H,13H2,1-2H3,(H,25,26).
What are the key properties of 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).