2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide

C12H14Cl2N2O — CID 114918763

IUPAC2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
SMILESC=CCN(CCC)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-3-5-16(6-4-2)12(17)9-7-11(14)15-8-10(9)13/h3,7-8H,1,4-6H2,2H3
InChIKeyNLQLRMNYXOVDLJ-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.43
Rot. Bonds5

About 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide

2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide (PubChem CID 114918763) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
PubChem CID114918763
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
SMILESC=CCN(CCC)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-3-5-16(6-4-2)12(17)9-7-11(14)15-8-10(9)13/h3,7-8H,1,4-6H2,2H3
InChIKeyNLQLRMNYXOVDLJ-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114089582
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2-chloro-5-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 103730747
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
CID 102705822
5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide (CID 114918763) is 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide is C=CCN(CCC)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide?
The InChIKey is NLQLRMNYXOVDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-3-5-16(6-4-2)12(17)9-7-11(14)15-8-10(9)13/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide?
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 114918763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).