6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C24H38N4O4 — CID 126463176

IUPAC6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCCC(CO)C2)[nH]c1=O
InChIInChI=1S/C24H38N4O4/c29-17-19-5-4-10-27(15-19)16-20-6-7-21(23(31)26-20)22(30)25-18-24(8-2-1-3-9-24)28-11-13-32-14-12-28/h6-7,19,29H,1-5,8-18H2,(H,25,30)(H,26,31)
InChIKeyRLIXNADQEDJZAX-UHFFFAOYSA-N
MW446.59 g/mol
LogP1.34
Rot. Bonds7

About 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126463176) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126463176
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCCC(CO)C2)[nH]c1=O
InChIInChI=1S/C24H38N4O4/c29-17-19-5-4-10-27(15-19)16-20-6-7-21(23(31)26-20)22(30)25-18-24(8-2-1-3-9-24)28-11-13-32-14-12-28/h6-7,19,29H,1-5,8-18H2,(H,25,30)(H,26,31)
InChIKeyRLIXNADQEDJZAX-UHFFFAOYSA-N
XLogP1.34
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 56855909
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
CID 18150649
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
2-oxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524943
N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 42451071
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003257
(3R)-3-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31288160
6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 131899053
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
2-(4-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 51330819

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126463176) is 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCCC(CO)C2)[nH]c1=O.
What is the InChIKey of 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RLIXNADQEDJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c29-17-19-5-4-10-27(15-19)16-20-6-7-21(23(31)26-20)22(30)25-18-24(8-2-1-3-9-24)28-11-13-32-14-12-28/h6-7,19,29H,1-5,8-18H2,(H,25,30)(H,26,31).
What are the key properties of 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126463176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).