N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide

C18H21N5O2 — CID 133145197

IUPACN-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]32)nn1
InChIInChI=1S/C18H21N5O2/c1-12-6-7-16(22-21-12)23-11-14(17-15(23)5-3-9-25-17)20-18(24)13-4-2-8-19-10-13/h2,4,6-8,10,14-15,17H,3,5,9,11H2,1H3,(H,20,24)/t14-,15-,17-/m1/s1
InChIKeyNOIGURUODJMOBH-BFYDXBDKSA-N
MW339.40 g/mol
LogP1.35
Rot. Bonds3

About N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide

N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide (PubChem CID 133145197) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide
PubChem CID133145197
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]32)nn1
InChIInChI=1S/C18H21N5O2/c1-12-6-7-16(22-21-12)23-11-14(17-15(23)5-3-9-25-17)20-18(24)13-4-2-8-19-10-13/h2,4,6-8,10,14-15,17H,3,5,9,11H2,1H3,(H,20,24)/t14-,15-,17-/m1/s1
InChIKeyNOIGURUODJMOBH-BFYDXBDKSA-N
XLogP1.35
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide
CID 97364559
N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
CID 127021534
2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
CID 133142435
(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364853
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155840133
N-[(3R,3aR,7aR)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 124521539
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-[[(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
CID 97387787
N-[(3R,3aS,7aS)-1-acetyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 97461397
N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-(3-pyrazol-1-ylpropoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171689666

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide (CID 133145197) is N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide is Cc1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]32)nn1.
What is the InChIKey of N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide?
The InChIKey is NOIGURUODJMOBH-BFYDXBDKSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-6-7-16(22-21-12)23-11-14(17-15(23)5-3-9-25-17)20-18(24)13-4-2-8-19-10-13/h2,4,6-8,10,14-15,17H,3,5,9,11H2,1H3,(H,20,24)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide?
N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133145197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).