2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

C13H15ClN2O2 — CID 84580756

IUPAC2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(Cl)nc(OC)c1
InChIInChI=1S/C13H15ClN2O2/c1-4-6-16(7-5-2)13(17)10-8-11(14)15-12(9-10)18-3/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyGDDDUESRLIOXJS-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.56
Rot. Bonds6

About 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (PubChem CID 84580756) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
PubChem CID84580756
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(Cl)nc(OC)c1
InChIInChI=1S/C13H15ClN2O2/c1-4-6-16(7-5-2)13(17)10-8-11(14)15-12(9-10)18-3/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyGDDDUESRLIOXJS-UHFFFAOYSA-N
XLogP2.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580497
2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
CID 84580621
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
CID 103338650
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
CID 84580910
2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 113378374
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
benzyl 2-chloro-6-methoxypyridine-4-carboxylate
CID 172647187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (CID 84580756) is 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is C=CCN(CC=C)C(=O)c1cc(Cl)nc(OC)c1.
What is the InChIKey of 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The InChIKey is GDDDUESRLIOXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-4-6-16(7-5-2)13(17)10-8-11(14)15-12(9-10)18-3/h4-5,8-9H,1-2,6-7H2,3H3.
What are the key properties of 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 84580756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).