N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide

C11H13ClN2O2 — CID 123816507

IUPACN-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
SMILESC=C(CCC(=O)Nc1cc(Cl)ccn1)OC
InChIInChI=1S/C11H13ClN2O2/c1-8(16-2)3-4-11(15)14-10-7-9(12)5-6-13-10/h5-7H,1,3-4H2,2H3,(H,13,14,15)
InChIKeyXLLIBRHXXRFREW-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.61
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide

N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide (PubChem CID 123816507) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
PubChem CID123816507
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
SMILESC=C(CCC(=O)Nc1cc(Cl)ccn1)OC
InChIInChI=1S/C11H13ClN2O2/c1-8(16-2)3-4-11(15)14-10-7-9(12)5-6-13-10/h5-7H,1,3-4H2,2H3,(H,13,14,15)
InChIKeyXLLIBRHXXRFREW-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796358
N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
CID 162756339

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide (CID 123816507) is N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide is C=C(CCC(=O)Nc1cc(Cl)ccn1)OC.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide?
The InChIKey is XLLIBRHXXRFREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-8(16-2)3-4-11(15)14-10-7-9(12)5-6-13-10/h5-7H,1,3-4H2,2H3,(H,13,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide?
N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide has a molecular weight of 240.69 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide is sourced from PubChem (CID 123816507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).