N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

C23H23N5O2 — CID 30866591

IUPACN-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H23N5O2/c24-22(29)17-6-8-19(9-7-17)25-23(30)18-12-14-28(15-13-18)21-11-10-20(26-27-21)16-4-2-1-3-5-16/h1-11,18H,12-15H2,(H2,24,29)(H,25,30)
InChIKeyHMWNFOCZFXZEOH-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.10
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30866591) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30866591
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H23N5O2/c24-22(29)17-6-8-19(9-7-17)25-23(30)18-12-14-28(15-13-18)21-11-10-20(26-27-21)16-4-2-1-3-5-16/h1-11,18H,12-15H2,(H2,24,29)(H,25,30)
InChIKeyHMWNFOCZFXZEOH-UHFFFAOYSA-N
XLogP3.10
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (CID 30866591) is N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is HMWNFOCZFXZEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-22(29)17-6-8-19(9-7-17)25-23(30)18-12-14-28(15-13-18)21-11-10-20(26-27-21)16-4-2-1-3-5-16/h1-11,18H,12-15H2,(H2,24,29)(H,25,30).
What are the key properties of N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30866591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).