1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

C21H32N6O2 — CID 53202217

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NC(C)c3c(C)nn(C)c3C)CC2)cc1=O
InChIInChI=1S/C21H32N6O2/c1-6-9-27-19(28)12-18(13-22-27)26-10-7-17(8-11-26)21(29)23-14(2)20-15(3)24-25(5)16(20)4/h12-14,17H,6-11H2,1-5H3,(H,23,29)
InChIKeyWEPARYXNFROZNP-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.10
Rot. Bonds6

About 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 53202217) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID53202217
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NC(C)c3c(C)nn(C)c3C)CC2)cc1=O
InChIInChI=1S/C21H32N6O2/c1-6-9-27-19(28)12-18(13-22-27)26-10-7-17(8-11-26)21(29)23-14(2)20-15(3)24-25(5)16(20)4/h12-14,17H,6-11H2,1-5H3,(H,23,29)
InChIKeyWEPARYXNFROZNP-UHFFFAOYSA-N
XLogP2.10
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (CID 53202217) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NC(C)c3c(C)nn(C)c3C)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is WEPARYXNFROZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-6-9-27-19(28)12-18(13-22-27)26-10-7-17(8-11-26)21(29)23-14(2)20-15(3)24-25(5)16(20)4/h12-14,17H,6-11H2,1-5H3,(H,23,29).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53202217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).