N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide

C17H18N6O — CID 121027952

IUPACN-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H18N6O/c24-16(20-17-18-12-6-2-3-7-13(12)19-17)14-8-9-15(22-21-14)23-10-4-1-5-11-23/h2-3,6-9H,1,4-5,10-11H2,(H2,18,19,20,24)
InChIKeyMDSVACFRDDFHSU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.60
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027952) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121027952
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H18N6O/c24-16(20-17-18-12-6-2-3-7-13(12)19-17)14-8-9-15(22-21-14)23-10-4-1-5-11-23/h2-3,6-9H,1,4-5,10-11H2,(H2,18,19,20,24)
InChIKeyMDSVACFRDDFHSU-UHFFFAOYSA-N
XLogP2.60
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121027952) is N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is MDSVACFRDDFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-16(20-17-18-12-6-2-3-7-13(12)19-17)14-8-9-15(22-21-14)23-10-4-1-5-11-23/h2-3,6-9H,1,4-5,10-11H2,(H2,18,19,20,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).