N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide

C21H29N3O2 — CID 131685942

IUPACN-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide
SMILESCC1CCC(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-2-4-17(5-3-15)20(26)24-11-8-21(14-24)12-18(13-21)23-19(25)16-6-9-22-10-7-16/h6-7,9-10,15,17-18H,2-5,8,11-14H2,1H3,(H,23,25)
InChIKeyRXMKMDNCDYTCGA-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.02
Rot. Bonds3

About N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide

N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide (PubChem CID 131685942) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide
PubChem CID131685942
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide
SMILESCC1CCC(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-2-4-17(5-3-15)20(26)24-11-8-21(14-24)12-18(13-21)23-19(25)16-6-9-22-10-7-16/h6-7,9-10,15,17-18H,2-5,8,11-14H2,1H3,(H,23,25)
InChIKeyRXMKMDNCDYTCGA-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide
CID 131688778
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 91925633
5-hydroxy-N-[(3S,6R)-1-methyl-6-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)azepan-3-yl]pyridine-3-carboxamide
CID 176500603
8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684896
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N'-(4-methylcyclohexyl)pyridine-4-carbohydrazide
CID 27260
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide (CID 131685942) is N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide is CC1CCC(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)CC1.
What is the InChIKey of N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide?
The InChIKey is RXMKMDNCDYTCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-2-4-17(5-3-15)20(26)24-11-8-21(14-24)12-18(13-21)23-19(25)16-6-9-22-10-7-16/h6-7,9-10,15,17-18H,2-5,8,11-14H2,1H3,(H,23,25).
What are the key properties of N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide?
N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 131685942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).