N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C18H24N6O — CID 71874964

IUPACN-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccn(-c2ccc(N3CCCC(C(=O)NCC4CC4)C3)nn2)n1
InChIInChI=1S/C18H24N6O/c1-13-8-10-24(22-13)17-7-6-16(20-21-17)23-9-2-3-15(12-23)18(25)19-11-14-4-5-14/h6-8,10,14-15H,2-5,9,11-12H2,1H3,(H,19,25)
InChIKeyMIZNYXQQLZDMGE-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.71
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 71874964) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID71874964
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccn(-c2ccc(N3CCCC(C(=O)NCC4CC4)C3)nn2)n1
InChIInChI=1S/C18H24N6O/c1-13-8-10-24(22-13)17-7-6-16(20-21-17)23-9-2-3-15(12-23)18(25)19-11-14-4-5-14/h6-8,10,14-15H,2-5,9,11-12H2,1H3,(H,19,25)
InChIKeyMIZNYXQQLZDMGE-UHFFFAOYSA-N
XLogP1.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 71874964) is N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1ccn(-c2ccc(N3CCCC(C(=O)NCC4CC4)C3)nn2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is MIZNYXQQLZDMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-8-10-24(22-13)17-7-6-16(20-21-17)23-9-2-3-15(12-23)18(25)19-11-14-4-5-14/h6-8,10,14-15H,2-5,9,11-12H2,1H3,(H,19,25).
What are the key properties of N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71874964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).