N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H21N5O3 — CID 163480460

IUPACN-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCNC(=O)C1=Cn2c(nnc2COc2ccnc3cc(OC)ccc23)CC1
InChIInChI=1S/C20H21N5O3/c1-3-21-20(26)13-4-7-18-23-24-19(25(18)11-13)12-28-17-8-9-22-16-10-14(27-2)5-6-15(16)17/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,21,26)
InChIKeyCECHTMXNJBIPCR-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 163480460) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID163480460
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCNC(=O)C1=Cn2c(nnc2COc2ccnc3cc(OC)ccc23)CC1
InChIInChI=1S/C20H21N5O3/c1-3-21-20(26)13-4-7-18-23-24-19(25(18)11-13)12-28-17-8-9-22-16-10-14(27-2)5-6-15(16)17/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,21,26)
InChIKeyCECHTMXNJBIPCR-UHFFFAOYSA-N
XLogP2.34
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 163480460) is N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCNC(=O)C1=Cn2c(nnc2COc2ccnc3cc(OC)ccc23)CC1.
What is the InChIKey of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CECHTMXNJBIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-3-21-20(26)13-4-7-18-23-24-19(25(18)11-13)12-28-17-8-9-22-16-10-14(27-2)5-6-15(16)17/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,21,26).
What are the key properties of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 163480460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).