methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate

C15H20N2O3 — CID 171482658

IUPACmethyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C2CC2)cc1NC1CC(OC)C1
InChIInChI=1S/C15H20N2O3/c1-19-12-6-11(7-12)17-13-5-10(9-3-4-9)8-16-14(13)15(18)20-2/h5,8-9,11-12,17H,3-4,6-7H2,1-2H3
InChIKeyGKRPKVPBOCTROR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds5

About methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate

methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate (PubChem CID 171482658) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate
PubChem CID171482658
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C2CC2)cc1NC1CC(OC)C1
InChIInChI=1S/C15H20N2O3/c1-19-12-6-11(7-12)17-13-5-10(9-3-4-9)8-16-14(13)15(18)20-2/h5,8-9,11-12,17H,3-4,6-7H2,1-2H3
InChIKeyGKRPKVPBOCTROR-UHFFFAOYSA-N
XLogP2.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate
CID 176578760
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
methyl 3-amino-5-cyclopropyloxypyridine-2-carboxylate
CID 169231845
methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate
CID 165133811
methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
CID 114118099
methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
CID 169292722
methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131847259
dimethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarboxylate
CID 13411242
methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113451667
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
CID 67159282

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate (CID 171482658) is methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate is COC(=O)c1ncc(C2CC2)cc1NC1CC(OC)C1.
What is the InChIKey of methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate?
The InChIKey is GKRPKVPBOCTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-12-6-11(7-12)17-13-5-10(9-3-4-9)8-16-14(13)15(18)20-2/h5,8-9,11-12,17H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate?
methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-3-[(3-methoxycyclobutyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 171482658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).