N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide

C12H16N2O2 — CID 169465538

IUPACN-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
SMILESCOc1ncc(C=CCNC(C)=O)cc1C
InChIInChI=1S/C12H16N2O2/c1-9-7-11(8-14-12(9)16-3)5-4-6-13-10(2)15/h4-5,7-8H,6H2,1-3H3,(H,13,15)
InChIKeyIBEUFUCVSUVDEX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.55
Rot. Bonds4

About N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide

N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169465538) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169465538
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
SMILESCOc1ncc(C=CCNC(C)=O)cc1C
InChIInChI=1S/C12H16N2O2/c1-9-7-11(8-14-12(9)16-3)5-4-6-13-10(2)15/h4-5,7-8H,6H2,1-3H3,(H,13,15)
InChIKeyIBEUFUCVSUVDEX-UHFFFAOYSA-N
XLogP1.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
CID 169460544
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 124501175
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
CID 169465196

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide (CID 169465538) is N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide is COc1ncc(C=CCNC(C)=O)cc1C.
What is the InChIKey of N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is IBEUFUCVSUVDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-11(8-14-12(9)16-3)5-4-6-13-10(2)15/h4-5,7-8H,6H2,1-3H3,(H,13,15).
What are the key properties of N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).