N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide

C16H22N2O — CID 155002812

IUPACN-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
SMILESC=C/C(=C\C)c1ccc(N(CCC)C(C)=O)nc1C
InChIInChI=1S/C16H22N2O/c1-6-11-18(13(5)19)16-10-9-15(12(4)17-16)14(7-2)8-3/h7-10H,2,6,11H2,1,3-5H3/b14-8+
InChIKeyJWDHLVAHBKDPJG-RIYZIHGNSA-N
MW258.37 g/mol
LogP3.74
Rot. Bonds5

About N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide

N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide (PubChem CID 155002812) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
PubChem CID155002812
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
SMILESC=C/C(=C\C)c1ccc(N(CCC)C(C)=O)nc1C
InChIInChI=1S/C16H22N2O/c1-6-11-18(13(5)19)16-10-9-15(12(4)17-16)14(7-2)8-3/h7-10H,2,6,11H2,1,3-5H3/b14-8+
InChIKeyJWDHLVAHBKDPJG-RIYZIHGNSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
The IUPAC name of N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide (CID 155002812) is N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide.
What is the SMILES notation for N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
The canonical SMILES for N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide is C=C/C(=C\C)c1ccc(N(CCC)C(C)=O)nc1C.
What is the InChIKey of N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
The InChIKey is JWDHLVAHBKDPJG-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H22N2O/c1-6-11-18(13(5)19)16-10-9-15(12(4)17-16)14(7-2)8-3/h7-10H,2,6,11H2,1,3-5H3/b14-8+.
What are the key properties of N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide has a molecular weight of 258.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 155002812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).