N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide

C21H21ClFN3O2 — CID 135296500

IUPACN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
SMILESCCc1ncc(C(=O)NC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C21H21ClFN3O2/c1-2-20-19(23)9-14(12-25-20)21(27)26-15-4-7-16(8-5-15)28-17-6-3-13(11-24)18(22)10-17/h3,6,9-10,12,15-16H,2,4-5,7-8H2,1H3,(H,26,27)
InChIKeyXKDFRZYDQWVDPE-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.43
Rot. Bonds5

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide (PubChem CID 135296500) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
PubChem CID135296500
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
SMILESCCc1ncc(C(=O)NC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C21H21ClFN3O2/c1-2-20-19(23)9-14(12-25-20)21(27)26-15-4-7-16(8-5-15)28-17-6-3-13(11-24)18(22)10-17/h3,6,9-10,12,15-16H,2,4-5,7-8H2,1H3,(H,26,27)
InChIKeyXKDFRZYDQWVDPE-UHFFFAOYSA-N
XLogP4.43
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridine-3-carboxamide
CID 176795444
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-(2-hydroxyethyl)benzamide
CID 169195596
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 134414273
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[(3R)-3-formylpyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 134413973
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide
CID 170390702
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
(1E,3Z,5Z,7Z)-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-cyclopentylcycloocta-1,3,5,7-tetraene-1-carboxamide
CID 171070401
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[(4-methylcyclohexylidene)methyl]pyrazine-2-carboxamide
CID 166980965

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide (CID 135296500) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide is CCc1ncc(C(=O)NC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide?
The InChIKey is XKDFRZYDQWVDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c1-2-20-19(23)9-14(12-25-20)21(27)26-15-4-7-16(8-5-15)28-17-6-3-13(11-24)18(22)10-17/h3,6,9-10,12,15-16H,2,4-5,7-8H2,1H3,(H,26,27).
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide has a molecular weight of 401.87 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 135296500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).