N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

C22H23N5O — CID 30866636

IUPACN-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1
InChIInChI=1S/C22H23N5O/c1-16-6-5-9-20(23-16)24-22(28)18-12-14-27(15-13-18)21-11-10-19(25-26-21)17-7-3-2-4-8-17/h2-11,18H,12-15H2,1H3,(H,23,24,28)
InChIKeyLGONRCBQRXGPHP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.70
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30866636) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30866636
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1
InChIInChI=1S/C22H23N5O/c1-16-6-5-9-20(23-16)24-22(28)18-12-14-27(15-13-18)21-11-10-19(25-26-21)17-7-3-2-4-8-17/h2-11,18H,12-15H2,1H3,(H,23,24,28)
InChIKeyLGONRCBQRXGPHP-UHFFFAOYSA-N
XLogP3.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (CID 30866636) is N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is LGONRCBQRXGPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-6-5-9-20(23-16)24-22(28)18-12-14-27(15-13-18)21-11-10-19(25-26-21)17-7-3-2-4-8-17/h2-11,18H,12-15H2,1H3,(H,23,24,28).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30866636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).