3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide

C17H20N2O — CID 110713731

IUPAC3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)10-16(20)19-15-9-14(11-18-12-15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyWWRLJRJZVROLLA-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.12
Rot. Bonds3

About 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide

3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide (PubChem CID 110713731) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
PubChem CID110713731
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)10-16(20)19-15-9-14(11-18-12-15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyWWRLJRJZVROLLA-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
2-(2-fluorophenoxy)-N-(5-phenyl-3-pyridinyl)acetamide
CID 110713734
N-(5-phenyl-3-pyridinyl)pyridine-2-carboxamide
CID 110742204
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
N-(5-phenyl-3-pyridinyl)ethanesulfonamide
CID 110713738
2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
CID 166907955
3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137109984
3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137133926
3,4-dimethoxy-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713719
3,3-dimethyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137114596
3,3-dimethyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113607

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide (CID 110713731) is 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide is CC(C)(C)CC(=O)Nc1cncc(-c2ccccc2)c1.
What is the InChIKey of 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide?
The InChIKey is WWRLJRJZVROLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)10-16(20)19-15-9-14(11-18-12-15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,19,20).
What are the key properties of 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide?
3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide has a molecular weight of 268.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide is sourced from PubChem (CID 110713731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).