4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide

C15H25N3O — CID 115157165

IUPAC4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
SMILESCC(C)(CCN)C(=O)NCC(C)(C)c1cccnc1
InChIInChI=1S/C15H25N3O/c1-14(2,7-8-16)13(19)18-11-15(3,4)12-6-5-9-17-10-12/h5-6,9-10H,7-8,11,16H2,1-4H3,(H,18,19)
InChIKeyFBIPAKGFSXMQKV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.85
Rot. Bonds6

About 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide

4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide (PubChem CID 115157165) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
PubChem CID115157165
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
SMILESCC(C)(CCN)C(=O)NCC(C)(C)c1cccnc1
InChIInChI=1S/C15H25N3O/c1-14(2,7-8-16)13(19)18-11-15(3,4)12-6-5-9-17-10-12/h5-6,9-10H,7-8,11,16H2,1-4H3,(H,18,19)
InChIKeyFBIPAKGFSXMQKV-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide (CID 115157165) is 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide is CC(C)(CCN)C(=O)NCC(C)(C)c1cccnc1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
The InChIKey is FBIPAKGFSXMQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-14(2,7-8-16)13(19)18-11-15(3,4)12-6-5-9-17-10-12/h5-6,9-10H,7-8,11,16H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide?
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide has a molecular weight of 263.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide is sourced from PubChem (CID 115157165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).