N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide

C15H15ClN2O — CID 23530658

IUPACN-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-6-12(7-4-10)15(19)17-9-13-8-5-11(2)18-14(13)16/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyZXTATHYRLVOVOE-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.28
Rot. Bonds3

About N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide

N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide (PubChem CID 23530658) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide
PubChem CID23530658
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-3-6-12(7-4-10)15(19)17-9-13-8-5-11(2)18-14(13)16/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyZXTATHYRLVOVOE-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide
CID 167845702
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 5127187
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078243
2-(2,6-dichloro-3-pyridinyl)-1-(4-methylphenyl)ethanone
CID 158567626
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(6-ethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylbenzamide
CID 143400907
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide (CID 23530658) is N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide?
The InChIKey is ZXTATHYRLVOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-6-12(7-4-10)15(19)17-9-13-8-5-11(2)18-14(13)16/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide?
N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 23530658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).