methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate

C18H22N2O2 — CID 177118718

IUPACmethyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCCc1cccc(-c2cnc(C(=O)OC)c(NC(C)C)c2)c1
InChIInChI=1S/C18H22N2O2/c1-5-13-7-6-8-14(9-13)15-10-16(20-12(2)3)17(19-11-15)18(21)22-4/h6-12,20H,5H2,1-4H3
InChIKeyANJUHJXNTROVJJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.92
Rot. Bonds5

About methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate

methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 177118718) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID177118718
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Namemethyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCCc1cccc(-c2cnc(C(=O)OC)c(NC(C)C)c2)c1
InChIInChI=1S/C18H22N2O2/c1-5-13-7-6-8-14(9-13)15-10-16(20-12(2)3)17(19-11-15)18(21)22-4/h6-12,20H,5H2,1-4H3
InChIKeyANJUHJXNTROVJJ-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176578205
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
methyl 5-[3-(2,2-difluoroethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 177119180
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176578343
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
5-(3-ethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-2-carboxylic acid
CID 176581566
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate (CID 177118718) is methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate is CCc1cccc(-c2cnc(C(=O)OC)c(NC(C)C)c2)c1.
What is the InChIKey of methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is ANJUHJXNTROVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-13-7-6-8-14(9-13)15-10-16(20-12(2)3)17(19-11-15)18(21)22-4/h6-12,20H,5H2,1-4H3.
What are the key properties of methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate?
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 177118718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).