lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate

C14H10LiN5O4 — CID 171799615

IUPAClithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)Nc1ccc(-n2cnc3cnc(C(=O)[O-])cc32)cn1.[Li+]
InChIInChI=1S/C14H11N5O4.Li/c1-23-14(22)18-12-3-2-8(5-16-12)19-7-17-10-6-15-9(13(20)21)4-11(10)19;/h2-7H,1H3,(H,20,21)(H,16,18,22);/q;+1/p-1
InChIKeyKMOVGIDXTYHLRB-UHFFFAOYSA-M
MW319.21 g/mol
LogP-2.64
Rot. Bonds3

About lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate

lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 171799615) has the molecular formula C14H10LiN5O4 and a molecular weight of 319.21 g/mol. Its IUPAC name is lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namelithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID171799615
Molecular FormulaC14H10LiN5O4
Molecular Weight319.21 g/mol
Exact Mass319.09
IUPAC Namelithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)Nc1ccc(-n2cnc3cnc(C(=O)[O-])cc32)cn1.[Li+]
InChIInChI=1S/C14H11N5O4.Li/c1-23-14(22)18-12-3-2-8(5-16-12)19-7-17-10-6-15-9(13(20)21)4-11(10)19;/h2-7H,1H3,(H,20,21)(H,16,18,22);/q;+1/p-1
InChIKeyKMOVGIDXTYHLRB-UHFFFAOYSA-M
XLogP-2.64
TPSA122.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 5-2.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate (CID 171799615) is lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)Nc1ccc(-n2cnc3cnc(C(=O)[O-])cc32)cn1.[Li+].
What is the InChIKey of lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is KMOVGIDXTYHLRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11N5O4.Li/c1-23-14(22)18-12-3-2-8(5-16-12)19-7-17-10-6-15-9(13(20)21)4-11(10)19;/h2-7H,1H3,(H,20,21)(H,16,18,22);/q;+1/p-1.
What are the key properties of lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate?
lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 319.21 g/mol, XLogP of -2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[6-(methoxycarbonylamino)-3-pyridinyl]imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 171799615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).