1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

C18H29N5O3 — CID 91920252

IUPAC1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCOCCn1ncc(N2CCC(C(=O)NCCN3CCCC3)C2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-26-11-10-23-17(24)12-16(13-20-23)22-8-4-15(14-22)18(25)19-5-9-21-6-2-3-7-21/h12-13,15H,2-11,14H2,1H3,(H,19,25)
InChIKeyKLZNAICEFPNQHO-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.07
Rot. Bonds8

About 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 91920252) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID91920252
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCOCCn1ncc(N2CCC(C(=O)NCCN3CCCC3)C2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-26-11-10-23-17(24)12-16(13-20-23)22-8-4-15(14-22)18(25)19-5-9-21-6-2-3-7-21/h12-13,15H,2-11,14H2,1H3,(H,19,25)
InChIKeyKLZNAICEFPNQHO-UHFFFAOYSA-N
XLogP-0.07
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 91920252) is 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is COCCn1ncc(N2CCC(C(=O)NCCN3CCCC3)C2)cc1=O.
What is the InChIKey of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is KLZNAICEFPNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-26-11-10-23-17(24)12-16(13-20-23)22-8-4-15(14-22)18(25)19-5-9-21-6-2-3-7-21/h12-13,15H,2-11,14H2,1H3,(H,19,25).
What are the key properties of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).