7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide

C22H29N5O — CID 159999194

IUPAC7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCc1ccc(N2CCC3(CCN(C(=O)Nc4ccc(C(C)C)cc4)C3)C2)nn1
InChIInChI=1S/C22H29N5O/c1-16(2)18-5-7-19(8-6-18)23-21(28)27-13-11-22(15-27)10-12-26(14-22)20-9-4-17(3)24-25-20/h4-9,16H,10-15H2,1-3H3,(H,23,28)
InChIKeyRPVIBHJONJLLPL-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.04
Rot. Bonds3

About 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide

7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 159999194) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
PubChem CID159999194
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCc1ccc(N2CCC3(CCN(C(=O)Nc4ccc(C(C)C)cc4)C3)C2)nn1
InChIInChI=1S/C22H29N5O/c1-16(2)18-5-7-19(8-6-18)23-21(28)27-13-11-22(15-27)10-12-26(14-22)20-9-4-17(3)24-25-20/h4-9,16H,10-15H2,1-3H3,(H,23,28)
InChIKeyRPVIBHJONJLLPL-UHFFFAOYSA-N
XLogP4.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide with MolForge

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Related Compounds

(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444839
(2S)-2-methyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444836
N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 159018139
4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157444833
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131663457
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
N-(3-chloro-4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 50946755
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91172790

Frequently Asked Questions

What is the IUPAC name of 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 159999194) is 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide is Cc1ccc(N2CCC3(CCN(C(=O)Nc4ccc(C(C)C)cc4)C3)C2)nn1.
What is the InChIKey of 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The InChIKey is RPVIBHJONJLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16(2)18-5-7-19(8-6-18)23-21(28)27-13-11-22(15-27)10-12-26(14-22)20-9-4-17(3)24-25-20/h4-9,16H,10-15H2,1-3H3,(H,23,28).
What are the key properties of 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 159999194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).