5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide

C20H20ClN3O3 — CID 176992974

IUPAC5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
SMILESCOc1cc(OC2CCC(NC(=O)c3ccc(Cl)cn3)CC2)ccc1C#N
InChIInChI=1S/C20H20ClN3O3/c1-26-19-10-17(6-2-13(19)11-22)27-16-7-4-15(5-8-16)24-20(25)18-9-3-14(21)12-23-18/h2-3,6,9-10,12,15-16H,4-5,7-8H2,1H3,(H,24,25)
InChIKeyLXGDTZBMKCNYLJ-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide

5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide (PubChem CID 176992974) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
PubChem CID176992974
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
SMILESCOc1cc(OC2CCC(NC(=O)c3ccc(Cl)cn3)CC2)ccc1C#N
InChIInChI=1S/C20H20ClN3O3/c1-26-19-10-17(6-2-13(19)11-22)27-16-7-4-15(5-8-16)24-20(25)18-9-3-14(21)12-23-18/h2-3,6,9-10,12,15-16H,4-5,7-8H2,1H3,(H,24,25)
InChIKeyLXGDTZBMKCNYLJ-UHFFFAOYSA-N
XLogP3.74
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyridazine-3-carboxamide
CID 176986426
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-2-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyrimidine-5-carboxamide
CID 176985479
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 176986293
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
CID 135296500
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176986588
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide (CID 176992974) is 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide is COc1cc(OC2CCC(NC(=O)c3ccc(Cl)cn3)CC2)ccc1C#N.
What is the InChIKey of 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is LXGDTZBMKCNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-26-19-10-17(6-2-13(19)11-22)27-16-7-4-15(5-8-16)24-20(25)18-9-3-14(21)12-23-18/h2-3,6,9-10,12,15-16H,4-5,7-8H2,1H3,(H,24,25).
What are the key properties of 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide?
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 176992974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).