N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide

C12H16N2O2 — CID 170488425

IUPACN-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
SMILESCOc1ccc(C=CCCNC(C)=O)cn1
InChIInChI=1S/C12H16N2O2/c1-10(15)13-8-4-3-5-11-6-7-12(16-2)14-9-11/h3,5-7,9H,4,8H2,1-2H3,(H,13,15)
InChIKeyJWTDWTIYSNISCR-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.63
Rot. Bonds5

About N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide

N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide (PubChem CID 170488425) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
PubChem CID170488425
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
SMILESCOc1ccc(C=CCCNC(C)=O)cn1
InChIInChI=1S/C12H16N2O2/c1-10(15)13-8-4-3-5-11-6-7-12(16-2)14-9-11/h3,5-7,9H,4,8H2,1-2H3,(H,13,15)
InChIKeyJWTDWTIYSNISCR-UHFFFAOYSA-N
XLogP1.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170492002
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170488142
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
N-[4-(2,4-dimethoxypyrimidin-5-yl)but-3-enyl]acetamide
CID 170489028
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
N-[4-(3,5-difluoro-4-methoxyphenyl)but-3-enyl]acetamide
CID 170489005

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide (CID 170488425) is N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide is COc1ccc(C=CCCNC(C)=O)cn1.
What is the InChIKey of N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide?
The InChIKey is JWTDWTIYSNISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10(15)13-8-4-3-5-11-6-7-12(16-2)14-9-11/h3,5-7,9H,4,8H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide?
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).