methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate

C17H20N4O4 — CID 58567048

IUPACmethyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CNCNCc2cccc(C(=O)OC)n2)n1
InChIInChI=1S/C17H20N4O4/c1-24-16(22)14-7-3-5-12(20-14)9-18-11-19-10-13-6-4-8-15(21-13)17(23)25-2/h3-8,18-19H,9-11H2,1-2H3
InChIKeyBUVAELGTZDYQGT-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.89
Rot. Bonds8

About methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate

methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate (PubChem CID 58567048) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate
PubChem CID58567048
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Namemethyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CNCNCc2cccc(C(=O)OC)n2)n1
InChIInChI=1S/C17H20N4O4/c1-24-16(22)14-7-3-5-12(20-14)9-18-11-19-10-13-6-4-8-15(21-13)17(23)25-2/h3-8,18-19H,9-11H2,1-2H3
InChIKeyBUVAELGTZDYQGT-UHFFFAOYSA-N
XLogP0.89
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Methyl 6-methylpyridine-2-carboxylate
CID 73022
Isopropyl 6-({[4-(acetylamino)phenyl]amino}carbonyl)pyridine-2-carboxylate
CID 3235826
6,6'-(Azanediylbis(methylene))dipicolinic acid
CID 155126357
Dipentyl pyridine-2,6-dicarboxylate
CID 1725701
methyl 6-(4,6-bis((R)-1-cyclopropylethyl amino)-1,3,5-triazin-2-yl)picolinate
CID 117799400
Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate
CID 11477388
Methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3965403
Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate (CID 58567048) is methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CNCNCc2cccc(C(=O)OC)n2)n1.
What is the InChIKey of methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate?
The InChIKey is BUVAELGTZDYQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-24-16(22)14-7-3-5-12(20-14)9-18-11-19-10-13-6-4-8-15(21-13)17(23)25-2/h3-8,18-19H,9-11H2,1-2H3.
What are the key properties of methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate?
methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[[(6-methoxycarbonyl-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 58567048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).