N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

C17H23N7O2 — CID 122293952

IUPACN-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1nc(NCCNC(=O)Cn2ncccc2=O)cc(N2CCCC2)n1
InChIInChI=1S/C17H23N7O2/c1-13-21-14(11-15(22-13)23-9-2-3-10-23)18-7-8-19-16(25)12-24-17(26)5-4-6-20-24/h4-6,11H,2-3,7-10,12H2,1H3,(H,19,25)(H,18,21,22)
InChIKeyUFFVIZKJGWQJNA-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.17
Rot. Bonds7

About N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122293952) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID122293952
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1nc(NCCNC(=O)Cn2ncccc2=O)cc(N2CCCC2)n1
InChIInChI=1S/C17H23N7O2/c1-13-21-14(11-15(22-13)23-9-2-3-10-23)18-7-8-19-16(25)12-24-17(26)5-4-6-20-24/h4-6,11H,2-3,7-10,12H2,1H3,(H,19,25)(H,18,21,22)
InChIKeyUFFVIZKJGWQJNA-UHFFFAOYSA-N
XLogP0.17
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295239
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122293845
1-(2-methoxyphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326342
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
2-(1,3-benzodioxol-5-yl)-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122293902
4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326666
1-(4-methoxyphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50944516
1-(3-methylphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945080
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295488

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122293952) is N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is Cc1nc(NCCNC(=O)Cn2ncccc2=O)cc(N2CCCC2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is UFFVIZKJGWQJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-13-21-14(11-15(22-13)23-9-2-3-10-23)18-7-8-19-16(25)12-24-17(26)5-4-6-20-24/h4-6,11H,2-3,7-10,12H2,1H3,(H,19,25)(H,18,21,22).
What are the key properties of N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 357.42 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122293952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).