N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide

C21H33N3O3 — CID 69166093

IUPACN-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide
SMILESCCOc1cnc(NC(=O)C2(CC)CCCCC2)cc1CN1CCOCC1
InChIInChI=1S/C21H33N3O3/c1-3-21(8-6-5-7-9-21)20(25)23-19-14-17(18(15-22-19)27-4-2)16-24-10-12-26-13-11-24/h14-15H,3-13,16H2,1-2H3,(H,22,23,25)
InChIKeyDEBTXQBQJSKDJW-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.61
Rot. Bonds7

About N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide

N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide (PubChem CID 69166093) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide
PubChem CID69166093
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide
SMILESCCOc1cnc(NC(=O)C2(CC)CCCCC2)cc1CN1CCOCC1
InChIInChI=1S/C21H33N3O3/c1-3-21(8-6-5-7-9-21)20(25)23-19-14-17(18(15-22-19)27-4-2)16-24-10-12-26-13-11-24/h14-15H,3-13,16H2,1-2H3,(H,22,23,25)
InChIKeyDEBTXQBQJSKDJW-UHFFFAOYSA-N
XLogP3.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide (CID 69166093) is N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide is CCOc1cnc(NC(=O)C2(CC)CCCCC2)cc1CN1CCOCC1.
What is the InChIKey of N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide?
The InChIKey is DEBTXQBQJSKDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-3-21(8-6-5-7-9-21)20(25)23-19-14-17(18(15-22-19)27-4-2)16-24-10-12-26-13-11-24/h14-15H,3-13,16H2,1-2H3,(H,22,23,25).
What are the key properties of N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide?
N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 69166093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).