2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide

C15H15ClFN3O — CID 103939963

IUPAC2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cc(F)cnc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClFN3O/c1-20(12-5-3-2-4-6-12)8-7-18-15(21)13-9-11(17)10-19-14(13)16/h2-6,9-10H,7-8H2,1H3,(H,18,21)
InChIKeyCAGIEQYRSGBHTI-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide

2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 103939963) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
PubChem CID103939963
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cc(F)cnc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClFN3O/c1-20(12-5-3-2-4-6-12)8-7-18-15(21)13-9-11(17)10-19-14(13)16/h2-6,9-10H,7-8H2,1H3,(H,18,21)
InChIKeyCAGIEQYRSGBHTI-UHFFFAOYSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.74
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

2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891624
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide (CID 103939963) is 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide is CN(CCNC(=O)c1cc(F)cnc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is CAGIEQYRSGBHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(12-5-3-2-4-6-12)8-7-18-15(21)13-9-11(17)10-19-14(13)16/h2-6,9-10H,7-8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103939963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).