6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C15H18ClN3O4 — CID 155996601

IUPAC6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H18ClN3O4/c1-18(4-9-7-23-8-12(20)14(9)21)15(22)11-6-19-5-10(16)2-3-13(19)17-11/h2-3,5-6,9,12,14,20-21H,4,7-8H2,1H3/t9-,12-,14+/m1/s1
InChIKeyJZPNJCUUEQZEQO-IUPBHXKESA-N
MW339.78 g/mol
LogP0.43
Rot. Bonds3

About 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 155996601) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID155996601
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC Name6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H18ClN3O4/c1-18(4-9-7-23-8-12(20)14(9)21)15(22)11-6-19-5-10(16)2-3-13(19)17-11/h2-3,5-6,9,12,14,20-21H,4,7-8H2,1H3/t9-,12-,14+/m1/s1
InChIKeyJZPNJCUUEQZEQO-IUPBHXKESA-N
XLogP0.43
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 155996601) is 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JZPNJCUUEQZEQO-IUPBHXKESA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-18(4-9-7-23-8-12(20)14(9)21)15(22)11-6-19-5-10(16)2-3-13(19)17-11/h2-3,5-6,9,12,14,20-21H,4,7-8H2,1H3/t9-,12-,14+/m1/s1.
What are the key properties of 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 155996601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).