methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate

C23H31N3O5 — CID 91099582

IUPACmethyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCCC2)c(C)n1.COC(=O)c1ccc(OC)c(C)n1
InChIInChI=1S/C14H20N2O2.C9H11NO3/c1-10-12(16-11-6-4-3-5-7-11)8-9-13(15-10)14(17)18-2;1-6-8(12-2)5-4-7(10-6)9(11)13-3/h8-9,11,16H,3-7H2,1-2H3;4-5H,1-3H3
InChIKeyDQYHNVZOVNWFDH-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.11
Rot. Bonds5

About methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate

methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate (PubChem CID 91099582) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate
PubChem CID91099582
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Namemethyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCCC2)c(C)n1.COC(=O)c1ccc(OC)c(C)n1
InChIInChI=1S/C14H20N2O2.C9H11NO3/c1-10-12(16-11-6-4-3-5-7-11)8-9-13(15-10)14(17)18-2;1-6-8(12-2)5-4-7(10-6)9(11)13-3/h8-9,11,16H,3-7H2,1-2H3;4-5H,1-3H3
InChIKeyDQYHNVZOVNWFDH-UHFFFAOYSA-N
XLogP4.11
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 71087752
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CID 43679174
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 122032136
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
1-(cyclohexylamino)-2-methoxycarbonyl-4-(sulfinoamino)benzene
CID 54246963
methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate
CID 129108901
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate (CID 91099582) is methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate is COC(=O)c1ccc(NC2CCCCC2)c(C)n1.COC(=O)c1ccc(OC)c(C)n1.
What is the InChIKey of methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate?
The InChIKey is DQYHNVZOVNWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C9H11NO3/c1-10-12(16-11-6-4-3-5-7-11)8-9-13(15-10)14(17)18-2;1-6-8(12-2)5-4-7(10-6)9(11)13-3/h8-9,11,16H,3-7H2,1-2H3;4-5H,1-3H3.
What are the key properties of methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate?
methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclohexylamino)-6-methylpyridine-2-carboxylate;methyl 5-methoxy-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 91099582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).