(2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide

C14H20N2O2 — CID 164634724

IUPAC(2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)NCc1cncc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)5-11(3)14(17)16-8-12-6-13(18-4)9-15-7-12/h6-7,9,11H,1,5,8H2,2-4H3,(H,16,17)/t11-/m0/s1
InChIKeyQSERPDKKFZSHPN-NSHDSACASA-N
MW248.33 g/mol
LogP2.31
Rot. Bonds6

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

(2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide (PubChem CID 164634724) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide
PubChem CID164634724
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)NCc1cncc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)5-11(3)14(17)16-8-12-6-13(18-4)9-15-7-12/h6-7,9,11H,1,5,8H2,2-4H3,(H,16,17)/t11-/m0/s1
InChIKeyQSERPDKKFZSHPN-NSHDSACASA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide?
The IUPAC name of (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide (CID 164634724) is (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide.
What is the SMILES notation for (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide?
The canonical SMILES for (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide is C=C(C)C[C@H](C)C(=O)NCc1cncc(OC)c1.
What is the InChIKey of (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide?
The InChIKey is QSERPDKKFZSHPN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)5-11(3)14(17)16-8-12-6-13(18-4)9-15-7-12/h6-7,9,11H,1,5,8H2,2-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide?
(2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide has a molecular weight of 248.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methoxy-3-pyridinyl)methyl]-2,4-dimethylpent-4-enamide is sourced from PubChem (CID 164634724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).