(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C19H21N7O — CID 52907602

IUPAC(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1
InChIInChI=1S/C19H21N7O/c27-19(21-13-16-6-1-2-9-20-16)15-5-3-11-25(14-15)17-7-8-18(24-23-17)26-12-4-10-22-26/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,21,27)/t15-/m1/s1
InChIKeyUUYQRNKADRSFRU-OAHLLOKOSA-N
MW363.43 g/mol
LogP1.59
Rot. Bonds5

About (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 52907602) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID52907602
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1
InChIInChI=1S/C19H21N7O/c27-19(21-13-16-6-1-2-9-20-16)15-5-3-11-25(14-15)17-7-8-18(24-23-17)26-12-4-10-22-26/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,21,27)/t15-/m1/s1
InChIKeyUUYQRNKADRSFRU-OAHLLOKOSA-N
XLogP1.59
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992969
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 30866511
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
(3R)-N-(1H-benzimidazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907658
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965
N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 90514505

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 52907602) is (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1.
What is the InChIKey of (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UUYQRNKADRSFRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N7O/c27-19(21-13-16-6-1-2-9-20-16)15-5-3-11-25(14-15)17-7-8-18(24-23-17)26-12-4-10-22-26/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,21,27)/t15-/m1/s1.
What are the key properties of (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 52907602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).