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

C20H31N3O2 — CID 24952495

IUPAC1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide
SMILESCCc1cnc(NC(=O)C2(CC)CCCC2)cc1CN1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-3-16-14-21-18(13-17(16)15-23-9-11-25-12-10-23)22-19(24)20(4-2)7-5-6-8-20/h13-14H,3-12,15H2,1-2H3,(H,21,22,24)
InChIKeyBQKHXFAWAFHFNZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.39
Rot. Bonds6

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

1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 24952495) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide
PubChem CID24952495
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide
SMILESCCc1cnc(NC(=O)C2(CC)CCCC2)cc1CN1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-3-16-14-21-18(13-17(16)15-23-9-11-25-12-10-23)22-19(24)20(4-2)7-5-6-8-20/h13-14H,3-12,15H2,1-2H3,(H,21,22,24)
InChIKeyBQKHXFAWAFHFNZ-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.39
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-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide (CID 24952495) is 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide is CCc1cnc(NC(=O)C2(CC)CCCC2)cc1CN1CCOCC1.
What is the InChIKey of 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is BQKHXFAWAFHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-16-14-21-18(13-17(16)15-23-9-11-25-12-10-23)22-19(24)20(4-2)7-5-6-8-20/h13-14H,3-12,15H2,1-2H3,(H,21,22,24).
What are the key properties of 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide?
1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 24952495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).