(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide

C16H26N2O2 — CID 95316114

IUPAC(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
SMILESCCC[C@H](C)C(=O)N(C)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H26N2O2/c1-7-8-11(2)16(19)18(5)10-14-13(4)15(20-6)12(3)9-17-14/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1
InChIKeySIBVEFDANLIHFA-NSHDSACASA-N
MW278.40 g/mol
LogP3.10
Rot. Bonds6

About (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide

(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide (PubChem CID 95316114) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
PubChem CID95316114
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
SMILESCCC[C@H](C)C(=O)N(C)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H26N2O2/c1-7-8-11(2)16(19)18(5)10-14-13(4)15(20-6)12(3)9-17-14/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1
InChIKeySIBVEFDANLIHFA-NSHDSACASA-N
XLogP3.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide?
The IUPAC name of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide (CID 95316114) is (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide.
What is the SMILES notation for (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide?
The canonical SMILES for (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide is CCC[C@H](C)C(=O)N(C)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide?
The InChIKey is SIBVEFDANLIHFA-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N2O2/c1-7-8-11(2)16(19)18(5)10-14-13(4)15(20-6)12(3)9-17-14/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide?
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 95316114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).