2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide

C13H19N3O2 — CID 103742713

IUPAC2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide
SMILESCOC1CC(Nc2ncccc2C(N)=O)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2)9(7-10(13)18-3)16-12-8(11(14)17)5-4-6-15-12/h4-6,9-10H,7H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyXGUBOTUBDPMQAJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide (PubChem CID 103742713) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide
PubChem CID103742713
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide
SMILESCOC1CC(Nc2ncccc2C(N)=O)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2)9(7-10(13)18-3)16-12-8(11(14)17)5-4-6-15-12/h4-6,9-10H,7H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyXGUBOTUBDPMQAJ-UHFFFAOYSA-N
XLogP1.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carbothioamide
CID 114119402
3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
CID 103742729
N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
CID 103742782
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 113255805
3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one
CID 103742779
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methoxypyridin-2-amine
CID 103932429
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107143766
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119318
N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113253017
5-bromo-4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121042
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide (CID 103742713) is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide is COC1CC(Nc2ncccc2C(N)=O)C1(C)C.
What is the InChIKey of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide?
The InChIKey is XGUBOTUBDPMQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)9(7-10(13)18-3)16-12-8(11(14)17)5-4-6-15-12/h4-6,9-10H,7H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide?
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 103742713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).