N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide

C22H23N5O — CID 71778557

IUPACN-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide
SMILESO=C(c1ccc(N2CCCCC2)nn1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N5O/c28-22(19-12-13-21(25-24-19)26-15-7-2-8-16-26)27(20-11-5-6-14-23-20)17-18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
InChIKeyAXTRCVNHDQDALQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.71
Rot. Bonds5

About N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide

N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide (PubChem CID 71778557) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide
PubChem CID71778557
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide
SMILESO=C(c1ccc(N2CCCCC2)nn1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N5O/c28-22(19-12-13-21(25-24-19)26-15-7-2-8-16-26)27(20-11-5-6-14-23-20)17-18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
InChIKeyAXTRCVNHDQDALQ-UHFFFAOYSA-N
XLogP3.71
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide (CID 71778557) is N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide is O=C(c1ccc(N2CCCCC2)nn1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide?
The InChIKey is AXTRCVNHDQDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(19-12-13-21(25-24-19)26-15-7-2-8-16-26)27(20-11-5-6-14-23-20)17-18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2.
What are the key properties of N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide?
N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-piperidin-1-yl-N-pyridin-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).