N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide

C22H22N2O2 — CID 55875751

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)nc2C)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-15-9-14-20(16(2)23-15)22(25)24-21(17-7-5-4-6-8-17)18-10-12-19(26-3)13-11-18/h4-14,21H,1-3H3,(H,24,25)
InChIKeyAGPUDRIWFLLIPD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.23
Rot. Bonds5

About N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide

N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 55875751) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID55875751
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)nc2C)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-15-9-14-20(16(2)23-15)22(25)24-21(17-7-5-4-6-8-17)18-10-12-19(26-3)13-11-18/h4-14,21H,1-3H3,(H,24,25)
InChIKeyAGPUDRIWFLLIPD-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide
CID 10269225
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide (CID 55875751) is N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide is COc1ccc(C(NC(=O)c2ccc(C)nc2C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is AGPUDRIWFLLIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-9-14-20(16(2)23-15)22(25)24-21(17-7-5-4-6-8-17)18-10-12-19(26-3)13-11-18/h4-14,21H,1-3H3,(H,24,25).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide?
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 55875751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).