methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate

C18H20N2O2 — CID 164884792

IUPACmethyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NCC3CC3)c(C)c2)nc1
InChIInChI=1S/C18H20N2O2/c1-12-9-14(5-7-16(12)19-10-13-3-4-13)17-8-6-15(11-20-17)18(21)22-2/h5-9,11,13,19H,3-4,10H2,1-2H3
InChIKeyYGPJXTHNHVEFKD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds5

About methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate

methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate (PubChem CID 164884792) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate
PubChem CID164884792
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namemethyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NCC3CC3)c(C)c2)nc1
InChIInChI=1S/C18H20N2O2/c1-12-9-14(5-7-16(12)19-10-13-3-4-13)17-8-6-15(11-20-17)18(21)22-2/h5-9,11,13,19H,3-4,10H2,1-2H3
InChIKeyYGPJXTHNHVEFKD-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)methylamino]-3-methyl-N-propan-2-ylbenzamide
CID 59549618
methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 129145240
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
methyl 6-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylate
CID 90017587
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-chloro-3-(cyclopentylmethylamino)benzoate
CID 63442225
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
methyl 3-[2-(2-cyclopropylethyl)-1H-imidazol-5-yl]-4-methylbenzoate
CID 123490421

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate (CID 164884792) is methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(NCC3CC3)c(C)c2)nc1.
What is the InChIKey of methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate?
The InChIKey is YGPJXTHNHVEFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-9-14(5-7-16(12)19-10-13-3-4-13)17-8-6-15(11-20-17)18(21)22-2/h5-9,11,13,19H,3-4,10H2,1-2H3.
What are the key properties of methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate?
methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate is sourced from PubChem (CID 164884792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).