N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide

C22H34N4O3S — CID 56855909

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCSCC2)[nH]c1=O
InChIInChI=1S/C22H34N4O3S/c27-20(19-5-4-18(24-21(19)28)16-25-10-14-30-15-11-25)23-17-22(6-2-1-3-7-22)26-8-12-29-13-9-26/h4-5H,1-3,6-17H2,(H,23,27)(H,24,28)
InChIKeyBSFRMFIJAZPLSJ-UHFFFAOYSA-N
MW434.61 g/mol
LogP1.69
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 56855909) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID56855909
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCSCC2)[nH]c1=O
InChIInChI=1S/C22H34N4O3S/c27-20(19-5-4-18(24-21(19)28)16-25-10-14-30-15-11-25)23-17-22(6-2-1-3-7-22)26-8-12-29-13-9-26/h4-5H,1-3,6-17H2,(H,23,27)(H,24,28)
InChIKeyBSFRMFIJAZPLSJ-UHFFFAOYSA-N
XLogP1.69
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide (CID 56855909) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCSCC2)[nH]c1=O.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BSFRMFIJAZPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c27-20(19-5-4-18(24-21(19)28)16-25-10-14-30-15-11-25)23-17-22(6-2-1-3-7-22)26-8-12-29-13-9-26/h4-5H,1-3,6-17H2,(H,23,27)(H,24,28).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56855909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).