6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide

C18H15ClN4O2 — CID 47013832

IUPAC6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nnc2ccccn12
InChIInChI=1S/C18H15ClN4O2/c1-11(17-22-21-16-4-2-3-7-23(16)17)20-18(24)13-8-12-9-14(19)5-6-15(12)25-10-13/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyUFLLFODBWZNJHO-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.04
Rot. Bonds3

About 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide

6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 47013832) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
PubChem CID47013832
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nnc2ccccn12
InChIInChI=1S/C18H15ClN4O2/c1-11(17-22-21-16-4-2-3-7-23(16)17)20-18(24)13-8-12-9-14(19)5-6-15(12)25-10-13/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyUFLLFODBWZNJHO-UHFFFAOYSA-N
XLogP3.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
6-chloro-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91823513
7-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 51247932
5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 47013085
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
3-(4-chlorophenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 30298139
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide
CID 25338137
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 112799094

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide (CID 47013832) is 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nnc2ccccn12.
What is the InChIKey of 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is UFLLFODBWZNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11(17-22-21-16-4-2-3-7-23(16)17)20-18(24)13-8-12-9-14(19)5-6-15(12)25-10-13/h2-9,11H,10H2,1H3,(H,20,24).
What are the key properties of 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide?
6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 47013832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).