3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C19H15ClN4O2 — CID 53197148

IUPAC3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccn3c(-c4cccc(Cl)c4)nnc3c2)o1
InChIInChI=1S/C19H15ClN4O2/c1-12-5-6-16(26-12)11-21-19(25)14-7-8-24-17(10-14)22-23-18(24)13-3-2-4-15(20)9-13/h2-10H,11H2,1H3,(H,21,25)
InChIKeyGYGIPRJKCLBZDU-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.88
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53197148) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53197148
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccn3c(-c4cccc(Cl)c4)nnc3c2)o1
InChIInChI=1S/C19H15ClN4O2/c1-12-5-6-16(26-12)11-21-19(25)14-7-8-24-17(10-14)22-23-18(24)13-3-2-4-15(20)9-13/h2-10H,11H2,1H3,(H,21,25)
InChIKeyGYGIPRJKCLBZDU-UHFFFAOYSA-N
XLogP3.88
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53197148) is 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1ccc(CNC(=O)c2ccn3c(-c4cccc(Cl)c4)nnc3c2)o1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is GYGIPRJKCLBZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-5-6-16(26-12)11-21-19(25)14-7-8-24-17(10-14)22-23-18(24)13-3-2-4-15(20)9-13/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53197148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).