3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C16H25N5O2 — CID 134074869

IUPAC3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1ccc(NC2COC3(CCN(C(=O)NC(C)C)C3)C2)nn1
InChIInChI=1S/C16H25N5O2/c1-11(2)17-15(22)21-7-6-16(10-21)8-13(9-23-16)18-14-5-4-12(3)19-20-14/h4-5,11,13H,6-10H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyIWUXWADTOHUYIY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.55
Rot. Bonds3

About 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 134074869) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID134074869
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1ccc(NC2COC3(CCN(C(=O)NC(C)C)C3)C2)nn1
InChIInChI=1S/C16H25N5O2/c1-11(2)17-15(22)21-7-6-16(10-21)8-13(9-23-16)18-14-5-4-12(3)19-20-14/h4-5,11,13H,6-10H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyIWUXWADTOHUYIY-UHFFFAOYSA-N
XLogP1.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylfuran-3-yl)-[(3R,5S)-3-[(6-methylpyridazin-3-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489434
N-(6-methylpyridazin-3-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131641336
[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 134074024
7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134071125
N-(6-methylpyridazin-3-yl)-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171686063
(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486737
(3S,5S)-3-[methyl(pyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486729
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486079
N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657
N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
CID 155856822
(3S,5S)-N-(6-methylpyridazin-3-yl)-9-(thiophen-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371771
2-(dimethylamino)-1-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 134076712

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 134074869) is 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1ccc(NC2COC3(CCN(C(=O)NC(C)C)C3)C2)nn1.
What is the InChIKey of 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is IWUXWADTOHUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)17-15(22)21-7-6-16(10-21)8-13(9-23-16)18-14-5-4-12(3)19-20-14/h4-5,11,13H,6-10H2,1-3H3,(H,17,22)(H,18,20).
What are the key properties of 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 134074869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).