3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide

C25H29N3O — CID 175269067

IUPAC3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)cc(CN(C)C)c2C)cn1
InChIInChI=1S/C25H29N3O/c1-17-11-12-21(15-26-17)19(3)27-25(29)24-14-22(20-9-7-6-8-10-20)13-23(18(24)2)16-28(4)5/h6-15,19H,16H2,1-5H3,(H,27,29)
InChIKeyHPVQEDDFJFKHKG-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.92
Rot. Bonds6

About 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide

3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide (PubChem CID 175269067) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide
PubChem CID175269067
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)cc(CN(C)C)c2C)cn1
InChIInChI=1S/C25H29N3O/c1-17-11-12-21(15-26-17)19(3)27-25(29)24-14-22(20-9-7-6-8-10-20)13-23(18(24)2)16-28(4)5/h6-15,19H,16H2,1-5H3,(H,27,29)
InChIKeyHPVQEDDFJFKHKG-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide
CID 118383945
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide
CID 141368657
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-[(4-phenyl-1,3-thiazol-2-yl)oxy]benzamide
CID 58188373
1-N-[(1S)-2-hydroxy-1-(6-methoxy-3-pyridinyl)ethyl]-3-N,2-dimethyl-3-N-(2-methylpropyl)-5-phenylbenzene-1,3-dicarboxamide
CID 174724474
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775
1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea
CID 121494770
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 58188284
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
3-(1,3-benzothiazol-2-yloxy)-5-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188271

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide (CID 175269067) is 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide is Cc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)cc(CN(C)C)c2C)cn1.
What is the InChIKey of 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide?
The InChIKey is HPVQEDDFJFKHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-11-12-21(15-26-17)19(3)27-25(29)24-14-22(20-9-7-6-8-10-20)13-23(18(24)2)16-28(4)5/h6-15,19H,16H2,1-5H3,(H,27,29).
What are the key properties of 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide?
3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide has a molecular weight of 387.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide is sourced from PubChem (CID 175269067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).