2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide

C19H29N3O3 — CID 2532761

IUPAC2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H29N3O3/c1-2-25-18-16(7-6-10-20-18)17(23)21-15-19(8-4-3-5-9-19)22-11-13-24-14-12-22/h6-7,10H,2-5,8-9,11-15H2,1H3,(H,21,23)
InChIKeyAGWNXEZBKRJITH-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.25
Rot. Bonds6

About 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide

2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 2532761) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID2532761
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H29N3O3/c1-2-25-18-16(7-6-10-20-18)17(23)21-15-19(8-4-3-5-9-19)22-11-13-24-14-12-22/h6-7,10H,2-5,8-9,11-15H2,1H3,(H,21,23)
InChIKeyAGWNXEZBKRJITH-UHFFFAOYSA-N
XLogP2.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide (CID 2532761) is 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is AGWNXEZBKRJITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-25-18-16(7-6-10-20-18)17(23)21-15-19(8-4-3-5-9-19)22-11-13-24-14-12-22/h6-7,10H,2-5,8-9,11-15H2,1H3,(H,21,23).
What are the key properties of 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 2532761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).