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

C15H20Cl2N2O — CID 114918550

IUPAC2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
SMILESCC1CCC(CCNC(=O)c2cc(Cl)ncc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-10-2-4-11(5-3-10)6-7-18-15(20)12-8-14(17)19-9-13(12)16/h8-11H,2-7H2,1H3,(H,18,20)
InChIKeyIAMFJYKZHJYHRP-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.33
Rot. Bonds4

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

2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide (PubChem CID 114918550) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
PubChem CID114918550
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
SMILESCC1CCC(CCNC(=O)c2cc(Cl)ncc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-10-2-4-11(5-3-10)6-7-18-15(20)12-8-14(17)19-9-13(12)16/h8-11H,2-7H2,1H3,(H,18,20)
InChIKeyIAMFJYKZHJYHRP-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
CID 114036166
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide (CID 114918550) is 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide is CC1CCC(CCNC(=O)c2cc(Cl)ncc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
The InChIKey is IAMFJYKZHJYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-2-4-11(5-3-10)6-7-18-15(20)12-8-14(17)19-9-13(12)16/h8-11H,2-7H2,1H3,(H,18,20).
What are the key properties of 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).