N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide

C23H22N4O — CID 133396949

IUPACN-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNc3cc(C)nc(C)c3C#N)c2)cc1
InChIInChI=1S/C23H22N4O/c1-15-7-9-19(10-8-15)23(28)27-20-6-4-5-18(12-20)14-25-22-11-16(2)26-17(3)21(22)13-24/h4-12H,14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyWVZQHMLPXUUIMC-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.74
Rot. Bonds5

About N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide

N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide (PubChem CID 133396949) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide
PubChem CID133396949
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNc3cc(C)nc(C)c3C#N)c2)cc1
InChIInChI=1S/C23H22N4O/c1-15-7-9-19(10-8-15)23(28)27-20-6-4-5-18(12-20)14-25-22-11-16(2)26-17(3)21(22)13-24/h4-12H,14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyWVZQHMLPXUUIMC-UHFFFAOYSA-N
XLogP4.74
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427
N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide
CID 133297905
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
5-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 81060334
N-[3-[[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55945915
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide (CID 133396949) is N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CNc3cc(C)nc(C)c3C#N)c2)cc1.
What is the InChIKey of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is WVZQHMLPXUUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-7-9-19(10-8-15)23(28)27-20-6-4-5-18(12-20)14-25-22-11-16(2)26-17(3)21(22)13-24/h4-12H,14H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide?
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 370.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 133396949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).