N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

C17H20N2O — CID 5459531

IUPACN,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C17H20N2O/c1-14(11-15-7-4-3-5-8-15)17(20)19(2)13-16-9-6-10-18-12-16/h3-10,12,14H,11,13H2,1-2H3
InChIKeyBGAGNSDDRPLDGE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.92
Rot. Bonds5

About N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 5459531) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID5459531
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C17H20N2O/c1-14(11-15-7-4-3-5-8-15)17(20)19(2)13-16-9-6-10-18-12-16/h3-10,12,14H,11,13H2,1-2H3
InChIKeyBGAGNSDDRPLDGE-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 5459531) is N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is CC(Cc1ccccc1)C(=O)N(C)Cc1cccnc1.
What is the InChIKey of N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is BGAGNSDDRPLDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(11-15-7-4-3-5-8-15)17(20)19(2)13-16-9-6-10-18-12-16/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 5459531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).