methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate

C15H17N3O3 — CID 20714362

IUPACmethyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1Nc1cccc(CN)c1
InChIInChI=1S/C15H17N3O3/c1-20-13-7-6-12(15(19)21-2)14(18-13)17-11-5-3-4-10(8-11)9-16/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyUGPWZVNZLIFJQO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate

methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate (PubChem CID 20714362) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate
PubChem CID20714362
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1Nc1cccc(CN)c1
InChIInChI=1S/C15H17N3O3/c1-20-13-7-6-12(15(19)21-2)14(18-13)17-11-5-3-4-10(8-11)9-16/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyUGPWZVNZLIFJQO-UHFFFAOYSA-N
XLogP2.08
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328
N-[3-(aminomethyl)phenyl]-6-methoxy-4-methylpyridin-2-amine;methane
CID 157374019
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine
CID 163443040
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
N-[3-(aminomethyl)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106999908
methyl 2-carbamoyl-4,5-bis(3-ethylanilino)benzoate
CID 22076471
methyl 2-(ethoxycarbonylcarbamothioylamino)-6-methoxypyridine-3-carboxylate
CID 121002980
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate (CID 20714362) is methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate is COC(=O)c1ccc(OC)nc1Nc1cccc(CN)c1.
What is the InChIKey of methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate?
The InChIKey is UGPWZVNZLIFJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-7-6-12(15(19)21-2)14(18-13)17-11-5-3-4-10(8-11)9-16/h3-8H,9,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate?
methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 20714362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).