2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide

C26H33ClN6O2 — CID 158949426

IUPAC2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide
SMILESN#CC1(CNc2cccc(-c3cc(CC4CCC(NCC(N)=O)CC4)ncc3Cl)n2)CCOCC1
InChIInChI=1S/C26H33ClN6O2/c27-22-14-30-20(12-18-4-6-19(7-5-18)31-15-24(29)34)13-21(22)23-2-1-3-25(33-23)32-17-26(16-28)8-10-35-11-9-26/h1-3,13-14,18-19,31H,4-12,15,17H2,(H2,29,34)(H,32,33)
InChIKeyJLFSXIZASIANDU-UHFFFAOYSA-N
MW497.04 g/mol
LogP3.71
Rot. Bonds9

About 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide

2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide (PubChem CID 158949426) has the molecular formula C26H33ClN6O2 and a molecular weight of 497.04 g/mol. Its IUPAC name is 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide
PubChem CID158949426
Molecular FormulaC26H33ClN6O2
Molecular Weight497.04 g/mol
Exact Mass496.24
IUPAC Name2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide
SMILESN#CC1(CNc2cccc(-c3cc(CC4CCC(NCC(N)=O)CC4)ncc3Cl)n2)CCOCC1
InChIInChI=1S/C26H33ClN6O2/c27-22-14-30-20(12-18-4-6-19(7-5-18)31-15-24(29)34)13-21(22)23-2-1-3-25(33-23)32-17-26(16-28)8-10-35-11-9-26/h1-3,13-14,18-19,31H,4-12,15,17H2,(H2,29,34)(H,32,33)
InChIKeyJLFSXIZASIANDU-UHFFFAOYSA-N
XLogP3.71
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide 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

4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 158300979
4-[[[6-[2-[[4-[bis(2-methoxyethyl)amino]cyclohexyl]methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 160970988
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile;methane
CID 161080184
(3S)-3-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]butanoic acid
CID 157048990
4-[[[6-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 58127437
tert-butyl N-[2-[2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethoxy]ethyl]carbamate
CID 168882785
N-[2-[2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methylamino]ethoxy]ethyl]cyclopropanesulfonamide
CID 168882789
(2R)-2-[(2R)-2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]propoxy]propanoic acid
CID 157048947
4-[[[6-(2-amino-5-chloro-4-pyridinyl)-2-pyridinyl]amino]methyl]oxane-4-carbonitrile;(2R)-2-(cyclohexylamino)propan-1-ol
CID 157049125
2-[(2R)-2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]propoxy]-2-methylpropanoic acid
CID 157049104
4-[[[6-[2-[[4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]amino]cyclohexyl]methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 158699076

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide?
The IUPAC name of 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide (CID 158949426) is 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide.
What is the SMILES notation for 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide?
The canonical SMILES for 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide is N#CC1(CNc2cccc(-c3cc(CC4CCC(NCC(N)=O)CC4)ncc3Cl)n2)CCOCC1.
What is the InChIKey of 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide?
The InChIKey is JLFSXIZASIANDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O2/c27-22-14-30-20(12-18-4-6-19(7-5-18)31-15-24(29)34)13-21(22)23-2-1-3-25(33-23)32-17-26(16-28)8-10-35-11-9-26/h1-3,13-14,18-19,31H,4-12,15,17H2,(H2,29,34)(H,32,33).
What are the key properties of 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide?
2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide has a molecular weight of 497.04 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide is sourced from PubChem (CID 158949426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).