4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide

C33H35N3O2 — CID 159698329

IUPAC4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1cc(-c2cccc(C)c2)ccn1
InChIInChI=1S/C33H35N3O2/c1-24-6-5-7-26(20-24)27-14-16-34-31(22-27)23-29-21-28(10-13-32(29)38-2)33(37)35-30-11-8-25(9-12-30)15-19-36-17-3-4-18-36/h5-14,16,20-22H,3-4,15,17-19,23H2,1-2H3,(H,35,37)
InChIKeyOWLJKBWKISFCDB-UHFFFAOYSA-N
MW505.66 g/mol
LogP6.55
Rot. Bonds9

About 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide

4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide (PubChem CID 159698329) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
PubChem CID159698329
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC Name4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1cc(-c2cccc(C)c2)ccn1
InChIInChI=1S/C33H35N3O2/c1-24-6-5-7-26(20-24)27-14-16-34-31(22-27)23-29-21-28(10-13-32(29)38-2)33(37)35-30-11-8-25(9-12-30)15-19-36-17-3-4-18-36/h5-14,16,20-22H,3-4,15,17-19,23H2,1-2H3,(H,35,37)
InChIKeyOWLJKBWKISFCDB-UHFFFAOYSA-N
XLogP6.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 160895706
2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 161011476
3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 25127664
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
N-[4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]phenyl]-3-methylbenzamide
CID 161423334
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103290
N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078134
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide (CID 159698329) is 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1cc(-c2cccc(C)c2)ccn1.
What is the InChIKey of 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The InChIKey is OWLJKBWKISFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-24-6-5-7-26(20-24)27-14-16-34-31(22-27)23-29-21-28(10-13-32(29)38-2)33(37)35-30-11-8-25(9-12-30)15-19-36-17-3-4-18-36/h5-14,16,20-22H,3-4,15,17-19,23H2,1-2H3,(H,35,37).
What are the key properties of 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide has a molecular weight of 505.66 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[4-(3-methylphenyl)-2-pyridinyl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide is sourced from PubChem (CID 159698329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).