3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile

C17H23ClN4O — CID 133282956

IUPAC3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCC2(N3CCOCC3)CCCCC2)ccc1Cl
InChIInChI=1S/C17H23ClN4O/c18-14-4-5-16(21-15(14)12-19)20-13-17(6-2-1-3-7-17)22-8-10-23-11-9-22/h4-5H,1-3,6-11,13H2,(H,20,21)
InChIKeyCCNOXKKONFRFBK-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.05
Rot. Bonds4

About 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile

3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile (PubChem CID 133282956) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile
PubChem CID133282956
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCC2(N3CCOCC3)CCCCC2)ccc1Cl
InChIInChI=1S/C17H23ClN4O/c18-14-4-5-16(21-15(14)12-19)20-13-17(6-2-1-3-7-17)22-8-10-23-11-9-22/h4-5H,1-3,6-11,13H2,(H,20,21)
InChIKeyCCNOXKKONFRFBK-UHFFFAOYSA-N
XLogP3.05
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile (CID 133282956) is 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCC2(N3CCOCC3)CCCCC2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is CCNOXKKONFRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c18-14-4-5-16(21-15(14)12-19)20-13-17(6-2-1-3-7-17)22-8-10-23-11-9-22/h4-5H,1-3,6-11,13H2,(H,20,21).
What are the key properties of 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile?
3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 334.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133282956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).