N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide

C22H22N2O — CID 20897042

IUPACN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2cccnc2)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H22N2O/c1-15-6-4-7-19(12-15)22(25)24-21(20-8-5-11-23-14-20)18-10-9-16(2)17(3)13-18/h4-14,21H,1-3H3,(H,24,25)
InChIKeyLUMDLOFWGSADQA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.53
Rot. Bonds4

About N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide

N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide (PubChem CID 20897042) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
PubChem CID20897042
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2cccnc2)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H22N2O/c1-15-6-4-7-19(12-15)22(25)24-21(20-8-5-11-23-14-20)18-10-9-16(2)17(3)13-18/h4-14,21H,1-3H3,(H,24,25)
InChIKeyLUMDLOFWGSADQA-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide?
The IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide (CID 20897042) is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(c2cccnc2)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide?
The InChIKey is LUMDLOFWGSADQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15-6-4-7-19(12-15)22(25)24-21(20-8-5-11-23-14-20)18-10-9-16(2)17(3)13-18/h4-14,21H,1-3H3,(H,24,25).
What are the key properties of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide?
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide is sourced from PubChem (CID 20897042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).