N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C14H21N3O4 — CID 62517184

IUPACN-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-21-9-8-17-12(19)5-4-11(16-17)13(20)15-14(10-18)6-2-3-7-14/h4-5,18H,2-3,6-10H2,1H3,(H,15,20)
InChIKeyPWHXEGPNDUDZIA-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.08
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 62517184) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID62517184
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-21-9-8-17-12(19)5-4-11(16-17)13(20)15-14(10-18)6-2-3-7-14/h4-5,18H,2-3,6-10H2,1H3,(H,15,20)
InChIKeyPWHXEGPNDUDZIA-UHFFFAOYSA-N
XLogP-0.08
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 62517184) is N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is PWHXEGPNDUDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-21-9-8-17-12(19)5-4-11(16-17)13(20)15-14(10-18)6-2-3-7-14/h4-5,18H,2-3,6-10H2,1H3,(H,15,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 62517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).