N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide

C16H23N3O3 — CID 136539303

IUPACN-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CC(C)OC2(CCCOC2)C1
InChIInChI=1S/C16H23N3O3/c1-12-9-19(10-16(22-12)6-4-8-21-11-16)14-13(15(20)17-2)5-3-7-18-14/h3,5,7,12H,4,6,8-11H2,1-2H3,(H,17,20)
InChIKeyZHHFTQJGMVGXBL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds2

About N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide

N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide (PubChem CID 136539303) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide
PubChem CID136539303
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CC(C)OC2(CCCOC2)C1
InChIInChI=1S/C16H23N3O3/c1-12-9-19(10-16(22-12)6-4-8-21-11-16)14-13(15(20)17-2)5-3-7-18-14/h3,5,7,12H,4,6,8-11H2,1-2H3,(H,17,20)
InChIKeyZHHFTQJGMVGXBL-UHFFFAOYSA-N
XLogP1.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
6-[(2S,6S)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
CID 124887089
(3S,4R)-1-[3-(methylcarbamoyl)-2-pyridinyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 70714830
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
(2R,6R)-2-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124886380
2-[(3aS,10aS)-10a-(hydroxymethyl)-3,3a,4,10-tetrahydro-1H-[1]benzoxepino[3,4-c]pyrrol-2-yl]-N-methylpyridine-3-carboxamide
CID 72868174
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626
(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124741114
2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride
CID 154898772

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide (CID 136539303) is N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CC(C)OC2(CCCOC2)C1.
What is the InChIKey of N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide?
The InChIKey is ZHHFTQJGMVGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-9-19(10-16(22-12)6-4-8-21-11-16)14-13(15(20)17-2)5-3-7-18-14/h3,5,7,12H,4,6,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide?
N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 136539303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).