2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide

C19H24N2O — CID 68781328

IUPAC2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide
SMILESCCC(CCc1ccccn1)NC(=O)c1cccc(C)c1C
InChIInChI=1S/C19H24N2O/c1-4-16(11-12-17-9-5-6-13-20-17)21-19(22)18-10-7-8-14(2)15(18)3/h5-10,13,16H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyDIKLEYSGOFYMKE-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.84
Rot. Bonds6

About 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide

2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide (PubChem CID 68781328) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide
PubChem CID68781328
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide
SMILESCCC(CCc1ccccn1)NC(=O)c1cccc(C)c1C
InChIInChI=1S/C19H24N2O/c1-4-16(11-12-17-9-5-6-13-20-17)21-19(22)18-10-7-8-14(2)15(18)3/h5-10,13,16H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyDIKLEYSGOFYMKE-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide (CID 68781328) is 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide is CCC(CCc1ccccn1)NC(=O)c1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide?
The InChIKey is DIKLEYSGOFYMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-16(11-12-17-9-5-6-13-20-17)21-19(22)18-10-7-8-14(2)15(18)3/h5-10,13,16H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide?
2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide has a molecular weight of 296.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide is sourced from PubChem (CID 68781328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).