methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate

C16H22N2O4 — CID 155255595

IUPACmethyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate
SMILESCNC1CC1(C(=O)OC(C)(C)C)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C16H22N2O4/c1-15(2,3)22-14(20)16(8-12(16)17-4)11-7-6-10(9-18-11)13(19)21-5/h6-7,9,12,17H,8H2,1-5H3
InChIKeyRSODIBJEMSRBEA-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.44
Rot. Bonds4

About methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate

methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate (PubChem CID 155255595) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate
PubChem CID155255595
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate
SMILESCNC1CC1(C(=O)OC(C)(C)C)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C16H22N2O4/c1-15(2,3)22-14(20)16(8-12(16)17-4)11-7-6-10(9-18-11)13(19)21-5/h6-7,9,12,17H,8H2,1-5H3
InChIKeyRSODIBJEMSRBEA-UHFFFAOYSA-N
XLogP1.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate (CID 155255595) is methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate is CNC1CC1(C(=O)OC(C)(C)C)c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate?
The InChIKey is RSODIBJEMSRBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-15(2,3)22-14(20)16(8-12(16)17-4)11-7-6-10(9-18-11)13(19)21-5/h6-7,9,12,17H,8H2,1-5H3.
What are the key properties of methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate?
methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]pyridine-3-carboxylate is sourced from PubChem (CID 155255595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).