(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide

C16H24N2O — CID 124756065

IUPAC(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
SMILESCC/C=C/CC(=O)N[C@@H](CC(C)C)c1cccnc1
InChIInChI=1S/C16H24N2O/c1-4-5-6-9-16(19)18-15(11-13(2)3)14-8-7-10-17-12-14/h5-8,10,12-13,15H,4,9,11H2,1-3H3,(H,18,19)/b6-5+/t15-/m0/s1
InChIKeyRQSISSNDOACPGB-NFAHFFEMSA-N
MW260.38 g/mol
LogP3.64
Rot. Bonds7

About (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide

(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide (PubChem CID 124756065) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
PubChem CID124756065
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
SMILESCC/C=C/CC(=O)N[C@@H](CC(C)C)c1cccnc1
InChIInChI=1S/C16H24N2O/c1-4-5-6-9-16(19)18-15(11-13(2)3)14-8-7-10-17-12-14/h5-8,10,12-13,15H,4,9,11H2,1-3H3,(H,18,19)/b6-5+/t15-/m0/s1
InChIKeyRQSISSNDOACPGB-NFAHFFEMSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
CID 118763463
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
3-[(Z)-hept-4-en-2-yl]pyridine
CID 83929814
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide?
The IUPAC name of (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide (CID 124756065) is (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide.
What is the SMILES notation for (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide?
The canonical SMILES for (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide is CC/C=C/CC(=O)N[C@@H](CC(C)C)c1cccnc1.
What is the InChIKey of (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide?
The InChIKey is RQSISSNDOACPGB-NFAHFFEMSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-6-9-16(19)18-15(11-13(2)3)14-8-7-10-17-12-14/h5-8,10,12-13,15H,4,9,11H2,1-3H3,(H,18,19)/b6-5+/t15-/m0/s1.
What are the key properties of (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide?
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide has a molecular weight of 260.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide is sourced from PubChem (CID 124756065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).