N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C20H20N6O — CID 121070781

IUPACN-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN(c2ccc(-c3ccncc3)nn2)C1
InChIInChI=1S/C20H20N6O/c27-20(23-17-7-11-22-12-8-17)16-2-1-13-26(14-16)19-4-3-18(24-25-19)15-5-9-21-10-6-15/h3-12,16H,1-2,13-14H2,(H,22,23,27)
InChIKeyLWGNNVPYGQYDLZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.79
Rot. Bonds4

About N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070781) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121070781
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN(c2ccc(-c3ccncc3)nn2)C1
InChIInChI=1S/C20H20N6O/c27-20(23-17-7-11-22-12-8-17)16-2-1-13-26(14-16)19-4-3-18(24-25-19)15-5-9-21-10-6-15/h3-12,16H,1-2,13-14H2,(H,22,23,27)
InChIKeyLWGNNVPYGQYDLZ-UHFFFAOYSA-N
XLogP2.79
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070841
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070850
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070899
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866208

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070781) is N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1ccncc1)C1CCCN(c2ccc(-c3ccncc3)nn2)C1.
What is the InChIKey of N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is LWGNNVPYGQYDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(23-17-7-11-22-12-8-17)16-2-1-13-26(14-16)19-4-3-18(24-25-19)15-5-9-21-10-6-15/h3-12,16H,1-2,13-14H2,(H,22,23,27).
What are the key properties of N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).