3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H18N6O — CID 71991071

IUPAC3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NCCNc3ccc4ccccc4n3)cn12
InChIInChI=1S/C19H18N6O/c1-13-23-24-18-9-7-15(12-25(13)18)19(26)21-11-10-20-17-8-6-14-4-2-3-5-16(14)22-17/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,26)
InChIKeyIWXYRVPIHIQGHY-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.43
Rot. Bonds5

About 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 71991071) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID71991071
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NCCNc3ccc4ccccc4n3)cn12
InChIInChI=1S/C19H18N6O/c1-13-23-24-18-9-7-15(12-25(13)18)19(26)21-11-10-20-17-8-6-14-4-2-3-5-16(14)22-17/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,26)
InChIKeyIWXYRVPIHIQGHY-UHFFFAOYSA-N
XLogP2.43
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 71991071) is 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)NCCNc3ccc4ccccc4n3)cn12.
What is the InChIKey of 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IWXYRVPIHIQGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-23-24-18-9-7-15(12-25(13)18)19(26)21-11-10-20-17-8-6-14-4-2-3-5-16(14)22-17/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,26).
What are the key properties of 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 71991071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).