methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate

C15H20N2O2 — CID 175953629

IUPACmethyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CNC2(C)CC2)c2c(n1)CCC2
InChIInChI=1S/C15H20N2O2/c1-15(6-7-15)16-9-10-8-13(14(18)19-2)17-12-5-3-4-11(10)12/h8,16H,3-7,9H2,1-2H3
InChIKeyBFUXJXPAFULPFP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds4

About methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate

methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate (PubChem CID 175953629) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
PubChem CID175953629
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CNC2(C)CC2)c2c(n1)CCC2
InChIInChI=1S/C15H20N2O2/c1-15(6-7-15)16-9-10-8-13(14(18)19-2)17-12-5-3-4-11(10)12/h8,16H,3-7,9H2,1-2H3
InChIKeyBFUXJXPAFULPFP-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 89272080
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
methyl 6-oxo-2,7-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,8-tetraene-3-carboxylate
CID 54613146
methyl 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-4-oxobutanoyl]benzoate
CID 22985643
ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 167560539
ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 167560541
methyl 5-amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridine-3-carboxylate
CID 46867253
methyl 4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]benzoate;hydrochloride
CID 159596067
methyl 1-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-3-carboxylate
CID 135043295
2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid
CID 103264014
dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
CID 139320839
methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
CID 101416291

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate (CID 175953629) is methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate is COC(=O)c1cc(CNC2(C)CC2)c2c(n1)CCC2.
What is the InChIKey of methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
The InChIKey is BFUXJXPAFULPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(6-7-15)16-9-10-8-13(14(18)19-2)17-12-5-3-4-11(10)12/h8,16H,3-7,9H2,1-2H3.
What are the key properties of methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-methylcyclopropyl)amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate is sourced from PubChem (CID 175953629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).