methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate

C15H16N2O3 — CID 149198292

IUPACmethyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)cc1NCc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-14-8-13(12(10-17-14)15(18)20-2)16-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyXEENPTNDAXIAMV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.49
Rot. Bonds5

About methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate

methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate (PubChem CID 149198292) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate
PubChem CID149198292
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)cc1NCc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-14-8-13(12(10-17-14)15(18)20-2)16-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyXEENPTNDAXIAMV-UHFFFAOYSA-N
XLogP2.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211
4-(benzylamino)-6-methylpyridine-3-carboxylic acid;methyl 4-amino-6-methylpyridine-3-carboxylate
CID 159705199
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
methyl 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
methyl 3-(benzylamino)-4-hydroxybenzoate
CID 83317646
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
methyl 3-amino-2-(benzylamino)benzoate
CID 112577696
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
4-bromo-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 114907362
2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 59673700
N-benzyl-2-methoxy-4-methylaniline
CID 54865649

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate (CID 149198292) is methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate is COC(=O)c1cnc(OC)cc1NCc1ccccc1.
What is the InChIKey of methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate?
The InChIKey is XEENPTNDAXIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-14-8-13(12(10-17-14)15(18)20-2)16-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate?
methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 149198292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).