N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide

C15H22N4O2 — CID 97364568

IUPACN-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
SMILESCCN1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)c2ccnnc2)C1
InChIInChI=1S/C15H22N4O2/c1-2-19-9-12-4-3-7-21-14(12)13(10-19)18-15(20)11-5-6-16-17-8-11/h5-6,8,12-14H,2-4,7,9-10H2,1H3,(H,18,20)/t12-,13+,14-/m0/s1
InChIKeyQHDSMCOGLPWLJA-MJBXVCDLSA-N
MW290.37 g/mol
LogP0.71
Rot. Bonds3

About N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide

N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide (PubChem CID 97364568) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
PubChem CID97364568
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
SMILESCCN1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)c2ccnnc2)C1
InChIInChI=1S/C15H22N4O2/c1-2-19-9-12-4-3-7-21-14(12)13(10-19)18-15(20)11-5-6-16-17-8-11/h5-6,8,12-14H,2-4,7,9-10H2,1H3,(H,18,20)/t12-,13+,14-/m0/s1
InChIKeyQHDSMCOGLPWLJA-MJBXVCDLSA-N
XLogP0.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide with MolForge

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Related Compounds

N-[(4aS,8R,8aS)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155834795
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-[(4aS,8R,8aS)-6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
CID 97364564
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
N-[(4aS,8R,8aS)-6-(cyclopropylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827983
N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride
CID 155843708
N-[(4aS,8R,8aS)-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
CID 97364566
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
[(3R,3aS,7aR)-3-(diethylamino)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
CID 97460290
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 98810910

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide (CID 97364568) is N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide is CCN1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)c2ccnnc2)C1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide?
The InChIKey is QHDSMCOGLPWLJA-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-19-9-12-4-3-7-21-14(12)13(10-19)18-15(20)11-5-6-16-17-8-11/h5-6,8,12-14H,2-4,7,9-10H2,1H3,(H,18,20)/t12-,13+,14-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide?
N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 97364568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).