6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide

C18H24N4O3 — CID 166379198

IUPAC6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide
SMILESCCC1CC(C(=O)N2CC(CNC(=O)c3cccc(C(N)=O)n3)C2)C1
InChIInChI=1S/C18H24N4O3/c1-2-11-6-13(7-11)18(25)22-9-12(10-22)8-20-17(24)15-5-3-4-14(21-15)16(19)23/h3-5,11-13H,2,6-10H2,1H3,(H2,19,23)(H,20,24)
InChIKeyKJAQLDIVIBSJCC-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.80
Rot. Bonds6

About 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide

6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide (PubChem CID 166379198) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide
PubChem CID166379198
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide
SMILESCCC1CC(C(=O)N2CC(CNC(=O)c3cccc(C(N)=O)n3)C2)C1
InChIInChI=1S/C18H24N4O3/c1-2-11-6-13(7-11)18(25)22-9-12(10-22)8-20-17(24)15-5-3-4-14(21-15)16(19)23/h3-5,11-13H,2,6-10H2,1H3,(H2,19,23)(H,20,24)
InChIKeyKJAQLDIVIBSJCC-UHFFFAOYSA-N
XLogP0.80
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107412464
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-bromo-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 103889926
6-(ethylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 62238644
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 91645277

Frequently Asked Questions

What is the IUPAC name of 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide (CID 166379198) is 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide is CCC1CC(C(=O)N2CC(CNC(=O)c3cccc(C(N)=O)n3)C2)C1.
What is the InChIKey of 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide?
The InChIKey is KJAQLDIVIBSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-11-6-13(7-11)18(25)22-9-12(10-22)8-20-17(24)15-5-3-4-14(21-15)16(19)23/h3-5,11-13H,2,6-10H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide?
6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[1-(3-ethylcyclobutanecarbonyl)azetidin-3-yl]methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 166379198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).