2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide

C25H29N3O — CID 141368657

IUPAC2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)c2cccc(-c3ccccc3)c2CN(C)C)cn1
InChIInChI=1S/C25H29N3O/c1-17-14-18(2)26-15-23(17)19(3)27-25(29)22-13-9-12-21(24(22)16-28(4)5)20-10-7-6-8-11-20/h6-15,19H,16H2,1-5H3,(H,27,29)/t19-/m1/s1
InChIKeyVQYBWIMNBCSMAM-LJQANCHMSA-N
MW387.53 g/mol
LogP4.92
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide

2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide (PubChem CID 141368657) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide
PubChem CID141368657
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)c2cccc(-c3ccccc3)c2CN(C)C)cn1
InChIInChI=1S/C25H29N3O/c1-17-14-18(2)26-15-23(17)19(3)27-25(29)22-13-9-12-21(24(22)16-28(4)5)20-10-7-6-8-11-20/h6-15,19H,16H2,1-5H3,(H,27,29)/t19-/m1/s1
InChIKeyVQYBWIMNBCSMAM-LJQANCHMSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide (CID 141368657) is 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide is Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(-c3ccccc3)c2CN(C)C)cn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide?
The InChIKey is VQYBWIMNBCSMAM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-14-18(2)26-15-23(17)19(3)27-25(29)22-13-9-12-21(24(22)16-28(4)5)20-10-7-6-8-11-20/h6-15,19H,16H2,1-5H3,(H,27,29)/t19-/m1/s1.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide?
2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-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 2-[(dimethylamino)methyl]-N-[(1R)-1-(4,6-dimethyl-3-pyridinyl)ethyl]-3-phenylbenzamide is sourced from PubChem (CID 141368657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).