1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C18H27N5O3 — CID 53203878

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCCCN3CCCC3=O)C2)cc1=O
InChIInChI=1S/C18H27N5O3/c1-21-17(25)11-15(12-20-21)23-9-2-5-14(13-23)18(26)19-7-4-10-22-8-3-6-16(22)24/h11-12,14H,2-10,13H2,1H3,(H,19,26)
InChIKeyVWZWILFBEGDYQZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.13
Rot. Bonds6

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 53203878) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID53203878
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCCCN3CCCC3=O)C2)cc1=O
InChIInChI=1S/C18H27N5O3/c1-21-17(25)11-15(12-20-21)23-9-2-5-14(13-23)18(26)19-7-4-10-22-8-3-6-16(22)24/h11-12,14H,2-10,13H2,1H3,(H,19,26)
InChIKeyVWZWILFBEGDYQZ-UHFFFAOYSA-N
XLogP0.13
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 53203878) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is Cn1ncc(N2CCCC(C(=O)NCCCN3CCCC3=O)C2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is VWZWILFBEGDYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-21-17(25)11-15(12-20-21)23-9-2-5-14(13-23)18(26)19-7-4-10-22-8-3-6-16(22)24/h11-12,14H,2-10,13H2,1H3,(H,19,26).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).