(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one

C10H12N2O — CID 131241368

IUPAC(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one
SMILESCC(=O)/C=C/Nc1cccc(C)n1
InChIInChI=1S/C10H12N2O/c1-8-4-3-5-10(12-8)11-7-6-9(2)13/h3-7H,1-2H3,(H,11,12)/b7-6+
InChIKeyCAWQTPGSHUKCJG-VOTSOKGWSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds3

About (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one

(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one (PubChem CID 131241368) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one
PubChem CID131241368
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one
SMILESCC(=O)/C=C/Nc1cccc(C)n1
InChIInChI=1S/C10H12N2O/c1-8-4-3-5-10(12-8)11-7-6-9(2)13/h3-7H,1-2H3,(H,11,12)/b7-6+
InChIKeyCAWQTPGSHUKCJG-VOTSOKGWSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 162787515
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine
CID 143155800
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
ethyl (Z)-2-diethoxyphosphoryl-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoate
CID 177469972
ethyl (E)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoate
CID 8811343
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915110
(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 60555034
N-iodo-6-methylpyridin-2-amine
CID 134375052

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one?
The IUPAC name of (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one (CID 131241368) is (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one.
What is the SMILES notation for (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one?
The canonical SMILES for (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one is CC(=O)/C=C/Nc1cccc(C)n1.
What is the InChIKey of (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one?
The InChIKey is CAWQTPGSHUKCJG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-4-3-5-10(12-8)11-7-6-9(2)13/h3-7H,1-2H3,(H,11,12)/b7-6+.
What are the key properties of (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one?
(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one is sourced from PubChem (CID 131241368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).