N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide

C10H11ClN2O — CID 103670335

IUPACN-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cnccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-7(2)5-10(14)13-9-6-12-4-3-8(9)11/h3-6H,1-2H3,(H,13,14)
InChIKeySSJZNYWADMPZEA-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.64
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide

N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide (PubChem CID 103670335) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
PubChem CID103670335
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cnccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-7(2)5-10(14)13-9-6-12-4-3-8(9)11/h3-6H,1-2H3,(H,13,14)
InChIKeySSJZNYWADMPZEA-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide (CID 103670335) is N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide?
The InChIKey is SSJZNYWADMPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(2)5-10(14)13-9-6-12-4-3-8(9)11/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide?
N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide has a molecular weight of 210.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide is sourced from PubChem (CID 103670335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).