2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide

C15H15Cl2N3O — CID 114917579

IUPAC2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
SMILESCN(CCNC(=O)c1cc(Cl)ncc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(11-5-3-2-4-6-11)8-7-18-15(21)12-9-14(17)19-10-13(12)16/h2-6,9-10H,7-8H2,1H3,(H,18,21)
InChIKeyQPBFLOWDHSHLDW-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.25
Rot. Bonds5

About 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide (PubChem CID 114917579) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
PubChem CID114917579
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
SMILESCN(CCNC(=O)c1cc(Cl)ncc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(11-5-3-2-4-6-11)8-7-18-15(21)12-9-14(17)19-10-13(12)16/h2-6,9-10H,7-8H2,1H3,(H,18,21)
InChIKeyQPBFLOWDHSHLDW-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide (CID 114917579) is 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide is CN(CCNC(=O)c1cc(Cl)ncc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide?
The InChIKey is QPBFLOWDHSHLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(11-5-3-2-4-6-11)8-7-18-15(21)12-9-14(17)19-10-13(12)16/h2-6,9-10H,7-8H2,1H3,(H,18,21).
What are the key properties of 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).