N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide

C22H27N3O3 — CID 139634561

IUPACN-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC(C(=O)NCCc2ccc(O)cc2)CC1)c1ccncc1
InChIInChI=1S/C22H27N3O3/c26-20-7-3-16(4-8-20)9-14-24-21(27)18-5-1-17(2-6-18)15-25-22(28)19-10-12-23-13-11-19/h3-4,7-8,10-13,17-18,26H,1-2,5-6,9,14-15H2,(H,24,27)(H,25,28)
InChIKeyGGTZAJIVTIMSRZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.68
Rot. Bonds7

About N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide

N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide (PubChem CID 139634561) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
PubChem CID139634561
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC(C(=O)NCCc2ccc(O)cc2)CC1)c1ccncc1
InChIInChI=1S/C22H27N3O3/c26-20-7-3-16(4-8-20)9-14-24-21(27)18-5-1-17(2-6-18)15-25-22(28)19-10-12-23-13-11-19/h3-4,7-8,10-13,17-18,26H,1-2,5-6,9,14-15H2,(H,24,27)(H,25,28)
InChIKeyGGTZAJIVTIMSRZ-UHFFFAOYSA-N
XLogP2.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
CID 139634554
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136529041
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 130233505
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
CID 169420316

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide (CID 139634561) is N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide is O=C(NCC1CCC(C(=O)NCCc2ccc(O)cc2)CC1)c1ccncc1.
What is the InChIKey of N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
The InChIKey is GGTZAJIVTIMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-20-7-3-16(4-8-20)9-14-24-21(27)18-5-1-17(2-6-18)15-25-22(28)19-10-12-23-13-11-19/h3-4,7-8,10-13,17-18,26H,1-2,5-6,9,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 139634561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).