ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate

C17H17N5O2 — CID 31537374

IUPACethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccc(-n3ccnc3)nc2)nc1
InChIInChI=1S/C17H17N5O2/c1-2-24-17(23)14-4-5-15(20-11-14)19-9-13-3-6-16(21-10-13)22-8-7-18-12-22/h3-8,10-12H,2,9H2,1H3,(H,19,20)
InChIKeyCFSNBMWCEAVSFK-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.45
Rot. Bonds6

About ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate

ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate (PubChem CID 31537374) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
PubChem CID31537374
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Nameethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccc(-n3ccnc3)nc2)nc1
InChIInChI=1S/C17H17N5O2/c1-2-24-17(23)14-4-5-15(20-11-14)19-9-13-3-6-16(21-10-13)22-8-7-18-12-22/h3-8,10-12H,2,9H2,1H3,(H,19,20)
InChIKeyCFSNBMWCEAVSFK-UHFFFAOYSA-N
XLogP2.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate (CID 31537374) is ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccc(-n3ccnc3)nc2)nc1.
What is the InChIKey of ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate?
The InChIKey is CFSNBMWCEAVSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-24-17(23)14-4-5-15(20-11-14)19-9-13-3-6-16(21-10-13)22-8-7-18-12-22/h3-8,10-12H,2,9H2,1H3,(H,19,20).
What are the key properties of ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate has a molecular weight of 323.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 31537374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).