4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide

C10H11ClN2O — CID 170797595

IUPAC4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
SMILESCc1cc(Cl)ncc1C=CCC(N)=O
InChIInChI=1S/C10H11ClN2O/c1-7-5-9(11)13-6-8(7)3-2-4-10(12)14/h2-3,5-6H,4H2,1H3,(H2,12,14)
InChIKeyKMPPVGKQHMABDG-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.93
Rot. Bonds3

About 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide

4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide (PubChem CID 170797595) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
PubChem CID170797595
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
SMILESCc1cc(Cl)ncc1C=CCC(N)=O
InChIInChI=1S/C10H11ClN2O/c1-7-5-9(11)13-6-8(7)3-2-4-10(12)14/h2-3,5-6H,4H2,1H3,(H2,12,14)
InChIKeyKMPPVGKQHMABDG-UHFFFAOYSA-N
XLogP1.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(6-chloro-4-methyl-3-pyridinyl)prop-2-en-1-ol
CID 169453054
2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine
CID 170498844
4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
CID 170797592
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
ethyl 4-(6-fluoro-4-methyl-3-pyridinyl)but-3-enoate
CID 170795829
4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
CID 170483660
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
The IUPAC name of 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide (CID 170797595) is 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide is Cc1cc(Cl)ncc1C=CCC(N)=O.
What is the InChIKey of 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
The InChIKey is KMPPVGKQHMABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7-5-9(11)13-6-8(7)3-2-4-10(12)14/h2-3,5-6H,4H2,1H3,(H2,12,14).
What are the key properties of 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide has a molecular weight of 210.66 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide is sourced from PubChem (CID 170797595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).