3,3-dimethyl-4,4-dipyridin-3-ylbutanamide

C16H19N3O — CID 118946294

IUPAC3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
SMILESCC(C)(CC(N)=O)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C16H19N3O/c1-16(2,9-14(17)20)15(12-5-3-7-18-10-12)13-6-4-8-19-11-13/h3-8,10-11,15H,9H2,1-2H3,(H2,17,20)
InChIKeyPBWAVUXLHPOHFS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.51
Rot. Bonds5

About 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide

3,3-dimethyl-4,4-dipyridin-3-ylbutanamide (PubChem CID 118946294) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
PubChem CID118946294
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
SMILESCC(C)(CC(N)=O)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C16H19N3O/c1-16(2,9-14(17)20)15(12-5-3-7-18-10-12)13-6-4-8-19-11-13/h3-8,10-11,15H,9H2,1-2H3,(H2,17,20)
InChIKeyPBWAVUXLHPOHFS-UHFFFAOYSA-N
XLogP2.51
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide
CID 118946354
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
ethyl 2,2-dimethyl-4-oxo-4-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 124737622
5,5-diethoxy-3-pyridin-3-ylpentanamide
CID 174510625
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
2,2-dimethyl-4-oxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanoic acid
CID 81407790
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
2-carbamothioyl-2-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 113270500

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide?
The IUPAC name of 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide (CID 118946294) is 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide is CC(C)(CC(N)=O)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide?
The InChIKey is PBWAVUXLHPOHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,9-14(17)20)15(12-5-3-7-18-10-12)13-6-4-8-19-11-13/h3-8,10-11,15H,9H2,1-2H3,(H2,17,20).
What are the key properties of 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide?
3,3-dimethyl-4,4-dipyridin-3-ylbutanamide has a molecular weight of 269.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,4-dipyridin-3-ylbutanamide is sourced from PubChem (CID 118946294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).