4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile

C28H36ClN5O2 — CID 158300979

IUPAC4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
SMILESN#CC1(CNc2cccc(-c3cc(CC4CCC(N5CCOCC5)CC4)ncc3Cl)n2)CCOCC1
InChIInChI=1S/C28H36ClN5O2/c29-25-18-31-22(16-21-4-6-23(7-5-21)34-10-14-36-15-11-34)17-24(25)26-2-1-3-27(33-26)32-20-28(19-30)8-12-35-13-9-28/h1-3,17-18,21,23H,4-16,20H2,(H,32,33)
InChIKeyGMMKWMKLNXYEBU-UHFFFAOYSA-N
MW510.08 g/mol
LogP4.96
Rot. Bonds7

About 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile

4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile (PubChem CID 158300979) has the molecular formula C28H36ClN5O2 and a molecular weight of 510.08 g/mol. Its IUPAC name is 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
PubChem CID158300979
Molecular FormulaC28H36ClN5O2
Molecular Weight510.08 g/mol
Exact Mass509.26
IUPAC Name4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
SMILESN#CC1(CNc2cccc(-c3cc(CC4CCC(N5CCOCC5)CC4)ncc3Cl)n2)CCOCC1
InChIInChI=1S/C28H36ClN5O2/c29-25-18-31-22(16-21-4-6-23(7-5-21)34-10-14-36-15-11-34)17-24(25)26-2-1-3-27(33-26)32-20-28(19-30)8-12-35-13-9-28/h1-3,17-18,21,23H,4-16,20H2,(H,32,33)
InChIKeyGMMKWMKLNXYEBU-UHFFFAOYSA-N
XLogP4.96
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.08
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[[5-chloro-4-[6-[(4-cyanooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]acetamide
CID 158949426
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
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
4-[[[6-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 58127437
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
(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-(2-amino-5-chloro-4-pyridinyl)-2-pyridinyl]amino]methyl]oxane-4-carbonitrile;(2R)-2-(cyclohexylamino)propan-1-ol
CID 157049125
4-[[[6-[2-[[4-[bis[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]amino]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 123805033
4-[[[6-[2-[[3-[bis(oxolan-2-ylmethyl)amino]cyclopentyl]amino]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 77460733
4-[[[6-[5-chloro-2-[[1-[[1-[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]amino]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 172610821

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile?
The IUPAC name of 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile (CID 158300979) is 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile is N#CC1(CNc2cccc(-c3cc(CC4CCC(N5CCOCC5)CC4)ncc3Cl)n2)CCOCC1.
What is the InChIKey of 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile?
The InChIKey is GMMKWMKLNXYEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN5O2/c29-25-18-31-22(16-21-4-6-23(7-5-21)34-10-14-36-15-11-34)17-24(25)26-2-1-3-27(33-26)32-20-28(19-30)8-12-35-13-9-28/h1-3,17-18,21,23H,4-16,20H2,(H,32,33).
What are the key properties of 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile?
4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile has a molecular weight of 510.08 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile is sourced from PubChem (CID 158300979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).