methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate

C14H18N4O2 — CID 106718863

IUPACmethyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
SMILESCCNCc1cn(Cc2ccc(C(=O)OC)cn2)cn1
InChIInChI=1S/C14H18N4O2/c1-3-15-7-13-9-18(10-17-13)8-12-5-4-11(6-16-12)14(19)20-2/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyBSIHFEPQIHVCSW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.22
Rot. Bonds6

About methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate

methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate (PubChem CID 106718863) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
PubChem CID106718863
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
SMILESCCNCc1cn(Cc2ccc(C(=O)OC)cn2)cn1
InChIInChI=1S/C14H18N4O2/c1-3-15-7-13-9-18(10-17-13)8-12-5-4-11(6-16-12)14(19)20-2/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyBSIHFEPQIHVCSW-UHFFFAOYSA-N
XLogP1.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate
CID 82994152
methyl 3-[4-(ethylaminomethyl)imidazol-1-yl]propanoate
CID 106718603
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 106895872
3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile
CID 106718872

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate (CID 106718863) is methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate is CCNCc1cn(Cc2ccc(C(=O)OC)cn2)cn1.
What is the InChIKey of methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate?
The InChIKey is BSIHFEPQIHVCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-15-7-13-9-18(10-17-13)8-12-5-4-11(6-16-12)14(19)20-2/h4-6,9-10,15H,3,7-8H2,1-2H3.
What are the key properties of methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate?
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 106718863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).