N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C21H19F3N6O2 — CID 118072386

IUPACN-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(O)(c1cnncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1)C1CC1
InChIInChI=1S/C21H19F3N6O2/c1-20(32,13-2-3-13)15-10-27-28-11-16(15)29-19(31)12-6-7-25-18(8-12)30-17-5-4-14(9-26-17)21(22,23)24/h4-11,13,32H,2-3H2,1H3,(H,25,26,30)(H,27,29,31)
InChIKeyCFAFDSYFCJZIIH-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.90
Rot. Bonds6

About N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118072386) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118072386
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC NameN-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(O)(c1cnncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1)C1CC1
InChIInChI=1S/C21H19F3N6O2/c1-20(32,13-2-3-13)15-10-27-28-11-16(15)29-19(31)12-6-7-25-18(8-12)30-17-5-4-14(9-26-17)21(22,23)24/h4-11,13,32H,2-3H2,1H3,(H,25,26,30)(H,27,29,31)
InChIKeyCFAFDSYFCJZIIH-UHFFFAOYSA-N
XLogP3.90
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
N-[6-chloro-4-[(2R,4R)-2-cyclopropyl-4-methyl-1,3-dioxolan-2-yl]-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064869
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
N-[6-chloro-4-(2-ethyl-4,5-dimethyl-1,3-dioxolan-2-yl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118065041
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064634
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178911
2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118064134
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118072386) is N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is CC(O)(c1cnncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1)C1CC1.
What is the InChIKey of N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is CFAFDSYFCJZIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-20(32,13-2-3-13)15-10-27-28-11-16(15)29-19(31)12-6-7-25-18(8-12)30-17-5-4-14(9-26-17)21(22,23)24/h4-11,13,32H,2-3H2,1H3,(H,25,26,30)(H,27,29,31).
What are the key properties of N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118072386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).