N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide

C17H17N5O2 — CID 52910543

IUPACN-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nnc2n1C[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2
InChIInChI=1S/C17H17N5O2/c1-10-20-21-15-7-6-11(9-22(10)15)18-17(24)13-8-16(23)19-14-5-3-2-4-12(13)14/h2-5,8,11H,6-7,9H2,1H3,(H,18,24)(H,19,23)/t11-/m1/s1
InChIKeyIRKWLLDWDNWKSB-LLVKDONJSA-N
MW323.36 g/mol
LogP1.17
Rot. Bonds2

About N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 52910543) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID52910543
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nnc2n1C[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2
InChIInChI=1S/C17H17N5O2/c1-10-20-21-15-7-6-11(9-22(10)15)18-17(24)13-8-16(23)19-14-5-3-2-4-12(13)14/h2-5,8,11H,6-7,9H2,1H3,(H,18,24)(H,19,23)/t11-/m1/s1
InChIKeyIRKWLLDWDNWKSB-LLVKDONJSA-N
XLogP1.17
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95154221
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
CID 86772269
2-oxo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-quinoline-4-carboxamide
CID 2514835
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 54579739
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 91631981
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 52910543) is N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide is Cc1nnc2n1C[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2.
What is the InChIKey of N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is IRKWLLDWDNWKSB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-20-21-15-7-6-11(9-22(10)15)18-17(24)13-8-16(23)19-14-5-3-2-4-12(13)14/h2-5,8,11H,6-7,9H2,1H3,(H,18,24)(H,19,23)/t11-/m1/s1.
What are the key properties of N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 52910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).