N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide

C32H34N4O5 — CID 66710218

IUPACN-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C32H34N4O5/c1-39-25-11-13-28(14-12-25)41-29-16-18-36(19-17-29)32(38)23-4-15-30(34-21-23)31(37)35-24-5-9-27(10-6-24)40-26-7-2-22(20-33)3-8-26/h2-4,7-8,11-15,21,24,27,29H,5-6,9-10,16-19H2,1H3,(H,35,37)
InChIKeyQVGHVUBOGYEDKB-UHFFFAOYSA-N
MW554.65 g/mol
LogP4.77
Rot. Bonds8

About N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710218) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710218
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC NameN-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C32H34N4O5/c1-39-25-11-13-28(14-12-25)41-29-16-18-36(19-17-29)32(38)23-4-15-30(34-21-23)31(37)35-24-5-9-27(10-6-24)40-26-7-2-22(20-33)3-8-26/h2-4,7-8,11-15,21,24,27,29H,5-6,9-10,16-19H2,1H3,(H,35,37)
InChIKeyQVGHVUBOGYEDKB-UHFFFAOYSA-N
XLogP4.77
TPSA113.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 123277304
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710373
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
5-[4-(3-chloro-4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710305
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethylsulfonyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710397
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710844
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 66710859
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 58073163
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710469
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676212

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710218) is N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide is COc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is QVGHVUBOGYEDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-39-25-11-13-28(14-12-25)41-29-16-18-36(19-17-29)32(38)23-4-15-30(34-21-23)31(37)35-24-5-9-27(10-6-24)40-26-7-2-22(20-33)3-8-26/h2-4,7-8,11-15,21,24,27,29H,5-6,9-10,16-19H2,1H3,(H,35,37).
What are the key properties of N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).