ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate

C16H20N4O2 — CID 37297447

IUPACethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccnc(N(C)C)c2)nc1
InChIInChI=1S/C16H20N4O2/c1-4-22-16(21)13-5-6-14(19-11-13)18-10-12-7-8-17-15(9-12)20(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyVZAMYPJTXYQKNI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.33
Rot. Bonds6

About ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate

ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate (PubChem CID 37297447) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
PubChem CID37297447
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccnc(N(C)C)c2)nc1
InChIInChI=1S/C16H20N4O2/c1-4-22-16(21)13-5-6-14(19-11-13)18-10-12-7-8-17-15(9-12)20(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyVZAMYPJTXYQKNI-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016
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CID 79492611
ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
CID 133411663
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CID 133440185
ethyl 6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]pyridine-3-carboxylate
CID 78862479
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
CID 60505506
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate (CID 37297447) is ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccnc(N(C)C)c2)nc1.
What is the InChIKey of ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate?
The InChIKey is VZAMYPJTXYQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-22-16(21)13-5-6-14(19-11-13)18-10-12-7-8-17-15(9-12)20(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19).
What are the key properties of ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate?
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 37297447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).