N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide

C18H27N5O2 — CID 56778541

IUPACN-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(C(=O)N2CCC(Nc3cccnn3)CC2)CCCCC1
InChIInChI=1S/C18H27N5O2/c1-14(24)21-18(9-3-2-4-10-18)17(25)23-12-7-15(8-13-23)20-16-6-5-11-19-22-16/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,20,22)(H,21,24)
InChIKeyFFFIPQNQLZQXRN-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.72
Rot. Bonds4

About N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide

N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide (PubChem CID 56778541) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide
PubChem CID56778541
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(C(=O)N2CCC(Nc3cccnn3)CC2)CCCCC1
InChIInChI=1S/C18H27N5O2/c1-14(24)21-18(9-3-2-4-10-18)17(25)23-12-7-15(8-13-23)20-16-6-5-11-19-22-16/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,20,22)(H,21,24)
InChIKeyFFFIPQNQLZQXRN-UHFFFAOYSA-N
XLogP1.72
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide (CID 56778541) is N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide is CC(=O)NC1(C(=O)N2CCC(Nc3cccnn3)CC2)CCCCC1.
What is the InChIKey of N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide?
The InChIKey is FFFIPQNQLZQXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(24)21-18(9-3-2-4-10-18)17(25)23-12-7-15(8-13-23)20-16-6-5-11-19-22-16/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide?
N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide is sourced from PubChem (CID 56778541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).