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

C21H21N3O — CID 109231789

IUPAC5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(NCc3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O/c1-16-6-5-9-18(10-16)13-24-21(25)19-11-20(15-22-14-19)23-12-17-7-3-2-4-8-17/h2-11,14-15,23H,12-13H2,1H3,(H,24,25)
InChIKeyFZIMMGMVZFTRSY-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.93
Rot. Bonds6

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

5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109231789) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109231789
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(NCc3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O/c1-16-6-5-9-18(10-16)13-24-21(25)19-11-20(15-22-14-19)23-12-17-7-3-2-4-8-17/h2-11,14-15,23H,12-13H2,1H3,(H,24,25)
InChIKeyFZIMMGMVZFTRSY-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 109231789) is 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(NCc3ccccc3)c2)c1.
What is the InChIKey of 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FZIMMGMVZFTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16-6-5-9-18(10-16)13-24-21(25)19-11-20(15-22-14-19)23-12-17-7-3-2-4-8-17/h2-11,14-15,23H,12-13H2,1H3,(H,24,25).
What are the key properties of 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109231789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).