methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate

C14H15N3O3 — CID 60724684

IUPACmethyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCc1ccnc(OC)c1
InChIInChI=1S/C14H15N3O3/c1-19-12-8-10(5-7-15-12)9-17-13-11(14(18)20-2)4-3-6-16-13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyAUTLBEDNAUPWOX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.88
Rot. Bonds5

About methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate

methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate (PubChem CID 60724684) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
PubChem CID60724684
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCc1ccnc(OC)c1
InChIInChI=1S/C14H15N3O3/c1-19-12-8-10(5-7-15-12)9-17-13-11(14(18)20-2)4-3-6-16-13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyAUTLBEDNAUPWOX-UHFFFAOYSA-N
XLogP1.88
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-[[(3-methoxycarbonyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379533
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate
CID 149198292
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate (CID 60724684) is methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCc1ccnc(OC)c1.
What is the InChIKey of methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate?
The InChIKey is AUTLBEDNAUPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-12-8-10(5-7-15-12)9-17-13-11(14(18)20-2)4-3-6-16-13/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate?
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 60724684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).