2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one

C15H18N4O — CID 171100758

IUPAC2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(-c2ccc(NC3CCCC3)nc2)n1
InChIInChI=1S/C15H18N4O/c1-11-6-9-15(20)19(18-11)13-7-8-14(16-10-13)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyIAUSJWHXSXUNII-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.29
Rot. Bonds3

About 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one

2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one (PubChem CID 171100758) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one
PubChem CID171100758
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(-c2ccc(NC3CCCC3)nc2)n1
InChIInChI=1S/C15H18N4O/c1-11-6-9-15(20)19(18-11)13-7-8-14(16-10-13)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyIAUSJWHXSXUNII-UHFFFAOYSA-N
XLogP2.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one
CID 178169311
N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine
CID 175621949
6-[6-(cyclopentylamino)-3-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 178169274
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
CID 62925137
1-[6-(cyclopentylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one;5-methylpyrazin-2-amine;molecular hydrogen
CID 171100619
N-[[(1R,3S)-3-[[5-[3-(3-ethynylazetidin-1-yl)-6-oxopyridazin-1-yl]-2-pyridinyl]amino]cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 176917104
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine
CID 123189002
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381542

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one (CID 171100758) is 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(-c2ccc(NC3CCCC3)nc2)n1.
What is the InChIKey of 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one?
The InChIKey is IAUSJWHXSXUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-6-9-15(20)19(18-11)13-7-8-14(16-10-13)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one?
2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one has a molecular weight of 270.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 171100758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).