(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide

C21H20FN5O — CID 30353337

IUPAC(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C21H20FN5O/c22-17-5-3-15(4-6-17)19-7-8-20(26-25-19)27-13-1-2-16(14-27)21(28)24-18-9-11-23-12-10-18/h3-12,16H,1-2,13-14H2,(H,23,24,28)/t16-/m1/s1
InChIKeyDHTLAMHDYYABTP-MRXNPFEDSA-N
MW377.42 g/mol
LogP3.53
Rot. Bonds4

About (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide

(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 30353337) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID30353337
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C21H20FN5O/c22-17-5-3-15(4-6-17)19-7-8-20(26-25-19)27-13-1-2-16(14-27)21(28)24-18-9-11-23-12-10-18/h3-12,16H,1-2,13-14H2,(H,23,24,28)/t16-/m1/s1
InChIKeyDHTLAMHDYYABTP-MRXNPFEDSA-N
XLogP3.53
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302
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-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
N-(1H-benzimidazol-2-yl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071277
N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071274
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide (CID 30353337) is (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide is O=C(Nc1ccncc1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is DHTLAMHDYYABTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-5-3-15(4-6-17)19-7-8-20(26-25-19)27-13-1-2-16(14-27)21(28)24-18-9-11-23-12-10-18/h3-12,16H,1-2,13-14H2,(H,23,24,28)/t16-/m1/s1.
What are the key properties of (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide?
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 30353337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).