(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide

C22H26N6O — CID 168926175

IUPAC(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
SMILESCc1cc(-c2ccc3nc(NC(=O)[C@@H]4CCCN5CCCC[C@H]45)nn3c2)ccn1
InChIInChI=1S/C22H26N6O/c1-15-13-16(9-10-23-15)17-7-8-20-24-22(26-28(20)14-17)25-21(29)18-5-4-12-27-11-3-2-6-19(18)27/h7-10,13-14,18-19H,2-6,11-12H2,1H3,(H,25,26,29)/t18-,19-/m1/s1
InChIKeyLKIZVKFGHFNMKX-RTBURBONSA-N
MW390.49 g/mol
LogP3.30
Rot. Bonds3

About (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide

(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide (PubChem CID 168926175) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide.

Molecular Properties

Compound Name(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
PubChem CID168926175
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
SMILESCc1cc(-c2ccc3nc(NC(=O)[C@@H]4CCCN5CCCC[C@H]45)nn3c2)ccn1
InChIInChI=1S/C22H26N6O/c1-15-13-16(9-10-23-15)17-7-8-20-24-22(26-28(20)14-17)25-21(29)18-5-4-12-27-11-3-2-6-19(18)27/h7-10,13-14,18-19H,2-6,11-12H2,1H3,(H,25,26,29)/t18-,19-/m1/s1
InChIKeyLKIZVKFGHFNMKX-RTBURBONSA-N
XLogP3.30
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide
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N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-4-carboxamide
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cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526962
(2R)-1-(cyclopentanecarbonyl)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 124511345
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126429371
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 25127857
N-(7-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 151866786
2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
CID 836596
CID 174087484
CID 174087484
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Frequently Asked Questions

What is the IUPAC name of (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide?
The IUPAC name of (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide (CID 168926175) is (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide.
What is the SMILES notation for (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide?
The canonical SMILES for (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide is Cc1cc(-c2ccc3nc(NC(=O)[C@@H]4CCCN5CCCC[C@H]45)nn3c2)ccn1.
What is the InChIKey of (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide?
The InChIKey is LKIZVKFGHFNMKX-RTBURBONSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15-13-16(9-10-23-15)17-7-8-20-24-22(26-28(20)14-17)25-21(29)18-5-4-12-27-11-3-2-6-19(18)27/h7-10,13-14,18-19H,2-6,11-12H2,1H3,(H,25,26,29)/t18-,19-/m1/s1.
What are the key properties of (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide?
(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide is sourced from PubChem (CID 168926175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).