N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

C33H33FN4O4 — CID 58073163

IUPACN-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H33FN4O4/c1-21-2-4-22(5-3-21)31(39)23-14-16-38(17-15-23)33(41)25-7-13-30(36-20-25)32(40)37-26-8-11-27(12-9-26)42-28-10-6-24(19-35)29(34)18-28/h2-7,10,13,18,20,23,26-27H,8-9,11-12,14-17H2,1H3,(H,37,40)
InChIKeyQLBGCIFHZXTNIV-UHFFFAOYSA-N
MW568.65 g/mol
LogP5.26
Rot. Bonds7

About N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 58073163) has the molecular formula C33H33FN4O4 and a molecular weight of 568.65 g/mol. Its IUPAC name is N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID58073163
Molecular FormulaC33H33FN4O4
Molecular Weight568.65 g/mol
Exact Mass568.25
IUPAC NameN-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H33FN4O4/c1-21-2-4-22(5-3-21)31(39)23-14-16-38(17-15-23)33(41)25-7-13-30(36-20-25)32(40)37-26-8-11-27(12-9-26)42-28-10-6-24(19-35)29(34)18-28/h2-7,10,13,18,20,23,26-27H,8-9,11-12,14-17H2,1H3,(H,37,40)
InChIKeyQLBGCIFHZXTNIV-UHFFFAOYSA-N
XLogP5.26
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.65
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710844
N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710218
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
5-[4-(3-chloro-4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710305
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710373
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 123277304
2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073553
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676197
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 58073163) is N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(F)c5)CC4)nc3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is QLBGCIFHZXTNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN4O4/c1-21-2-4-22(5-3-21)31(39)23-14-16-38(17-15-23)33(41)25-7-13-30(36-20-25)32(40)37-26-8-11-27(12-9-26)42-28-10-6-24(19-35)29(34)18-28/h2-7,10,13,18,20,23,26-27H,8-9,11-12,14-17H2,1H3,(H,37,40).
What are the key properties of N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 568.65 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 58073163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).