2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide

C18H27N3O2 — CID 77093341

IUPAC2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2(CN3CCOCC3)CCCC2)cc(C)n1
InChIInChI=1S/C18H27N3O2/c1-14-11-16(12-15(2)19-14)17(22)20-18(5-3-4-6-18)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,20,22)
InChIKeyKRZKKHQQKOQZSO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.07
Rot. Bonds4

About 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide

2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 77093341) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID77093341
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2(CN3CCOCC3)CCCC2)cc(C)n1
InChIInChI=1S/C18H27N3O2/c1-14-11-16(12-15(2)19-14)17(22)20-18(5-3-4-6-18)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,20,22)
InChIKeyKRZKKHQQKOQZSO-UHFFFAOYSA-N
XLogP2.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide (CID 77093341) is 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide is Cc1cc(C(=O)NC2(CN3CCOCC3)CCCC2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is KRZKKHQQKOQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-11-16(12-15(2)19-14)17(22)20-18(5-3-4-6-18)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,20,22).
What are the key properties of 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 77093341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).