4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide

C16H26N2O — CID 126441988

IUPAC4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide
SMILESCC[C@H](NC(=O)CCC(C)(C)C)c1cccc(C)n1
InChIInChI=1S/C16H26N2O/c1-6-13(14-9-7-8-12(2)17-14)18-15(19)10-11-16(3,4)5/h7-9,13H,6,10-11H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyCHDURRDBCLJABN-ZDUSSCGKSA-N
MW262.40 g/mol
LogP3.78
Rot. Bonds5

About 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide

4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide (PubChem CID 126441988) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide
PubChem CID126441988
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide
SMILESCC[C@H](NC(=O)CCC(C)(C)C)c1cccc(C)n1
InChIInChI=1S/C16H26N2O/c1-6-13(14-9-7-8-12(2)17-14)18-15(19)10-11-16(3,4)5/h7-9,13H,6,10-11H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyCHDURRDBCLJABN-ZDUSSCGKSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide (CID 126441988) is 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide is CC[C@H](NC(=O)CCC(C)(C)C)c1cccc(C)n1.
What is the InChIKey of 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide?
The InChIKey is CHDURRDBCLJABN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-13(14-9-7-8-12(2)17-14)18-15(19)10-11-16(3,4)5/h7-9,13H,6,10-11H2,1-5H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide?
4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide is sourced from PubChem (CID 126441988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).