2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one

C19H20N4O — CID 178169311

IUPAC2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one
SMILESCc1cccc2c(=O)n(-c3ccc(NC4CCCC4)nc3)ncc12
InChIInChI=1S/C19H20N4O/c1-13-5-4-8-16-17(13)12-21-23(19(16)24)15-9-10-18(20-11-15)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyDVRDJTOALYSLJX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.44
Rot. Bonds3

About 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one

2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one (PubChem CID 178169311) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one
PubChem CID178169311
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one
SMILESCc1cccc2c(=O)n(-c3ccc(NC4CCCC4)nc3)ncc12
InChIInChI=1S/C19H20N4O/c1-13-5-4-8-16-17(13)12-21-23(19(16)24)15-9-10-18(20-11-15)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyDVRDJTOALYSLJX-UHFFFAOYSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(cyclopentylamino)-3-pyridinyl]-6-methylpyridazin-3-one
CID 171100758
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
1-[6-(cyclopentylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one;5-methylpyrazin-2-amine;molecular hydrogen
CID 171100619
N-cyclopentyl-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243801
6-[6-(cyclopentylamino)-3-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 178169274
4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
CID 166054981
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one
CID 171100526
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
N-cyclopentyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882159

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one?
The IUPAC name of 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one (CID 178169311) is 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one.
What is the SMILES notation for 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one?
The canonical SMILES for 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one is Cc1cccc2c(=O)n(-c3ccc(NC4CCCC4)nc3)ncc12.
What is the InChIKey of 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one?
The InChIKey is DVRDJTOALYSLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-5-4-8-16-17(13)12-21-23(19(16)24)15-9-10-18(20-11-15)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22).
What are the key properties of 2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one?
2-[6-(cyclopentylamino)-3-pyridinyl]-5-methylphthalazin-1-one has a molecular weight of 320.40 g/mol, XLogP of 3.44, 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]-5-methylphthalazin-1-one is sourced from PubChem (CID 178169311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).