N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide

C22H24N4O3 — CID 55659910

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCc2cccnc2OC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-2-26-22(28)18-12-6-5-11-17(18)19(25-26)20(27)24-14-15-8-7-13-23-21(15)29-16-9-3-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,27)
InChIKeySQAQRWUGXJTCJB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.06
Rot. Bonds6

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 55659910) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID55659910
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCc2cccnc2OC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-2-26-22(28)18-12-6-5-11-17(18)19(25-26)20(27)24-14-15-8-7-13-23-21(15)29-16-9-3-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,27)
InChIKeySQAQRWUGXJTCJB-UHFFFAOYSA-N
XLogP3.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide (CID 55659910) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)NCc2cccnc2OC2CCCC2)c2ccccc2c1=O.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is SQAQRWUGXJTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-26-22(28)18-12-6-5-11-17(18)19(25-26)20(27)24-14-15-8-7-13-23-21(15)29-16-9-3-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55659910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).