N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C20H31N5O — CID 50771821

IUPACN-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C20H31N5O/c26-20(21-17-6-2-1-3-7-17)16-10-14-25(15-11-16)19-9-8-18(22-23-19)24-12-4-5-13-24/h8-9,16-17H,1-7,10-15H2,(H,21,26)
InChIKeyGWQBVMQEICJHED-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.74
Rot. Bonds4

About N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771821) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771821
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C20H31N5O/c26-20(21-17-6-2-1-3-7-17)16-10-14-25(15-11-16)19-9-8-18(22-23-19)24-12-4-5-13-24/h8-9,16-17H,1-7,10-15H2,(H,21,26)
InChIKeyGWQBVMQEICJHED-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771821) is N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is GWQBVMQEICJHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c26-20(21-17-6-2-1-3-7-17)16-10-14-25(15-11-16)19-9-8-18(22-23-19)24-12-4-5-13-24/h8-9,16-17H,1-7,10-15H2,(H,21,26).
What are the key properties of N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).