1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide

C20H31N3O2 — CID 45487685

IUPAC1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCCC1
InChIInChI=1S/C20H31N3O2/c1-3-20(7-5-4-6-8-20)19(24)22-18-13-17(16(2)14-21-18)15-23-9-11-25-12-10-23/h13-14H,3-12,15H2,1-2H3,(H,21,22,24)
InChIKeyLRRYERULOJFUIK-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.52
Rot. Bonds5

About 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide

1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 45487685) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID45487685
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCCC1
InChIInChI=1S/C20H31N3O2/c1-3-20(7-5-4-6-8-20)19(24)22-18-13-17(16(2)14-21-18)15-23-9-11-25-12-10-23/h13-14H,3-12,15H2,1-2H3,(H,21,22,24)
InChIKeyLRRYERULOJFUIK-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 45487685) is 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide is CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCCC1.
What is the InChIKey of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is LRRYERULOJFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-20(7-5-4-6-8-20)19(24)22-18-13-17(16(2)14-21-18)15-23-9-11-25-12-10-23/h13-14H,3-12,15H2,1-2H3,(H,21,22,24).
What are the key properties of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 45487685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).