N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H19F6N5O — CID 30365521

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C23H19F6N5O/c24-22(25,26)16-10-17(23(27,28)29)12-18(11-16)31-21(35)14-5-8-34(9-6-14)20-4-3-19(32-33-20)15-2-1-7-30-13-15/h1-4,7,10-14H,5-6,8-9H2,(H,31,35)
InChIKeyDIMGQPSSGABWCA-UHFFFAOYSA-N
MW495.43 g/mol
LogP5.43
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30365521) has the molecular formula C23H19F6N5O and a molecular weight of 495.43 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30365521
Molecular FormulaC23H19F6N5O
Molecular Weight495.43 g/mol
Exact Mass495.15
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C23H19F6N5O/c24-22(25,26)16-10-17(23(27,28)29)12-18(11-16)31-21(35)14-5-8-34(9-6-14)20-4-3-19(32-33-20)15-2-1-7-30-13-15/h1-4,7,10-14H,5-6,8-9H2,(H,31,35)
InChIKeyDIMGQPSSGABWCA-UHFFFAOYSA-N
XLogP5.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
N-[4-(dimethylamino)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365512
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071029
N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365604
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992587
N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071096

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30365521) is N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is DIMGQPSSGABWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N5O/c24-22(25,26)16-10-17(23(27,28)29)12-18(11-16)31-21(35)14-5-8-34(9-6-14)20-4-3-19(32-33-20)15-2-1-7-30-13-15/h1-4,7,10-14H,5-6,8-9H2,(H,31,35).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 495.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30365521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).