5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide

C18H15ClN4O2 — CID 47013085

IUPAC5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2nnc3ccccn23)oc2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN4O2/c1-10-13-9-12(19)6-7-14(13)25-16(10)18(24)20-11(2)17-22-21-15-5-3-4-8-23(15)17/h3-9,11H,1-2H3,(H,20,24)
InChIKeyMYVLRJQQTCYHGG-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 47013085) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID47013085
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2nnc3ccccn23)oc2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN4O2/c1-10-13-9-12(19)6-7-14(13)25-16(10)18(24)20-11(2)17-22-21-15-5-3-4-8-23(15)17/h3-9,11H,1-2H3,(H,20,24)
InChIKeyMYVLRJQQTCYHGG-UHFFFAOYSA-N
XLogP3.93
TPSA72.43 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 ≤ 53.93
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
6-chloro-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91823513
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
CID 47013832
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
2-(4-chlorophenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030745
5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047
(2S,3R)-2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964498
5-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 42923218
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide (CID 47013085) is 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2nnc3ccccn23)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is MYVLRJQQTCYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-10-13-9-12(19)6-7-14(13)25-16(10)18(24)20-11(2)17-22-21-15-5-3-4-8-23(15)17/h3-9,11H,1-2H3,(H,20,24).
What are the key properties of 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47013085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).