1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one

C17H29NO — CID 51355522

IUPAC1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one
SMILESCCCCC(=O)C1=CN(C(C)C)C=C[C@H]1CCCC
InChIInChI=1S/C17H29NO/c1-5-7-9-15-11-12-18(14(3)4)13-16(15)17(19)10-8-6-2/h11-15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyJDOSQYACHLBFOZ-OAHLLOKOSA-N
MW263.42 g/mol
LogP4.67
Rot. Bonds8

About 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one

1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one (PubChem CID 51355522) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one
PubChem CID51355522
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one
SMILESCCCCC(=O)C1=CN(C(C)C)C=C[C@H]1CCCC
InChIInChI=1S/C17H29NO/c1-5-7-9-15-11-12-18(14(3)4)13-16(15)17(19)10-8-6-2/h11-15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyJDOSQYACHLBFOZ-OAHLLOKOSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one?
The IUPAC name of 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one (CID 51355522) is 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one?
The canonical SMILES for 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one is CCCCC(=O)C1=CN(C(C)C)C=C[C@H]1CCCC.
What is the InChIKey of 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one?
The InChIKey is JDOSQYACHLBFOZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-9-15-11-12-18(14(3)4)13-16(15)17(19)10-8-6-2/h11-15H,5-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one?
1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one has a molecular weight of 263.42 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one is sourced from PubChem (CID 51355522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).