methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate

C14H18N2O3 — CID 71087752

IUPACmethyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC2CC2)c(OCC2CC2)n1
InChIInChI=1S/C14H18N2O3/c1-18-14(17)12-7-6-11(15-10-4-5-10)13(16-12)19-8-9-2-3-9/h6-7,9-10,15H,2-5,8H2,1H3
InChIKeyVBWDBOOZNPNQCZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.23
Rot. Bonds6

About methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate

methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate (PubChem CID 71087752) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate
PubChem CID71087752
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC2CC2)c(OCC2CC2)n1
InChIInChI=1S/C14H18N2O3/c1-18-14(17)12-7-6-11(15-10-4-5-10)13(16-12)19-8-9-2-3-9/h6-7,9-10,15H,2-5,8H2,1H3
InChIKeyVBWDBOOZNPNQCZ-UHFFFAOYSA-N
XLogP2.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 71105634
methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 118418684
methyl 5-nitro-6-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 114403273
methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate
CID 91099582
methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 67057251
methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(cyclopropylmethoxy)pyrazine-2-carboxylate
CID 86682327
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 123273372
methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
CID 114409250
methyl 5-bromo-6-[[(2R)-piperazin-2-yl]methoxy]pyridine-2-carboxylate
CID 175963253
methyl 5-amino-6-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate (CID 71087752) is methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate is COC(=O)c1ccc(NC2CC2)c(OCC2CC2)n1.
What is the InChIKey of methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
The InChIKey is VBWDBOOZNPNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-14(17)12-7-6-11(15-10-4-5-10)13(16-12)19-8-9-2-3-9/h6-7,9-10,15H,2-5,8H2,1H3.
What are the key properties of methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 71087752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).