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

C21H22N6O — CID 121070949

IUPACN-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
InChIInChI=1S/C21H22N6O/c28-21(24-13-16-4-1-9-22-12-16)18-6-3-11-27(15-18)20-8-7-19(25-26-20)17-5-2-10-23-14-17/h1-2,4-5,7-10,12,14,18H,3,6,11,13,15H2,(H,24,28)
InChIKeyOOOOIOSRIIXUAD-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.47
Rot. Bonds5

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

N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070949) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121070949
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
InChIInChI=1S/C21H22N6O/c28-21(24-13-16-4-1-9-22-12-16)18-6-3-11-27(15-18)20-8-7-19(25-26-20)17-5-2-10-23-14-17/h1-2,4-5,7-10,12,14,18H,3,6,11,13,15H2,(H,24,28)
InChIKeyOOOOIOSRIIXUAD-UHFFFAOYSA-N
XLogP2.47
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071012
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071238
(3S)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 39047918
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 53056954
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071009

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070949) is N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCc1cccnc1)C1CCCN(c2ccc(-c3cccnc3)nn2)C1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is OOOOIOSRIIXUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(24-13-16-4-1-9-22-12-16)18-6-3-11-27(15-18)20-8-7-19(25-26-20)17-5-2-10-23-14-17/h1-2,4-5,7-10,12,14,18H,3,6,11,13,15H2,(H,24,28).
What are the key properties of N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).