N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H20N6O — CID 51091886

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN1CCC(CNC(=O)c2ccnc(-n3cncn3)c2)c2ccccc21
InChIInChI=1S/C19H20N6O/c1-24-9-7-15(16-4-2-3-5-17(16)24)11-22-19(26)14-6-8-21-18(10-14)25-13-20-12-23-25/h2-6,8,10,12-13,15H,7,9,11H2,1H3,(H,22,26)
InChIKeyDYJRABFWJCTMTK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.02
Rot. Bonds4

About N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51091886) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51091886
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN1CCC(CNC(=O)c2ccnc(-n3cncn3)c2)c2ccccc21
InChIInChI=1S/C19H20N6O/c1-24-9-7-15(16-4-2-3-5-17(16)24)11-22-19(26)14-6-8-21-18(10-14)25-13-20-12-23-25/h2-6,8,10,12-13,15H,7,9,11H2,1H3,(H,22,26)
InChIKeyDYJRABFWJCTMTK-UHFFFAOYSA-N
XLogP2.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51091886) is N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CN1CCC(CNC(=O)c2ccnc(-n3cncn3)c2)c2ccccc21.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is DYJRABFWJCTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-9-7-15(16-4-2-3-5-17(16)24)11-22-19(26)14-6-8-21-18(10-14)25-13-20-12-23-25/h2-6,8,10,12-13,15H,7,9,11H2,1H3,(H,22,26).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51091886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).