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

C18H27N3O2 — CID 45487782

IUPAC1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCC1
InChIInChI=1S/C18H27N3O2/c1-3-18(5-4-6-18)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,19,20,22)
InChIKeyNRDHQJDUDWUWNM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.74
Rot. Bonds5

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

1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 45487782) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide
PubChem CID45487782
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCC1
InChIInChI=1S/C18H27N3O2/c1-3-18(5-4-6-18)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,19,20,22)
InChIKeyNRDHQJDUDWUWNM-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.74
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]cyclobutane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide (CID 45487782) is 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide is CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCC1.
What is the InChIKey of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide?
The InChIKey is NRDHQJDUDWUWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-18(5-4-6-18)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,19,20,22).
What are the key properties of 1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide?
1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.74, 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]cyclobutane-1-carboxamide is sourced from PubChem (CID 45487782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).