3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide

C15H15ClF3N5O2 — CID 60507712

IUPAC3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C(N)=O
InChIInChI=1S/C15H15ClF3N5O2/c1-14(2,13(20)26)7-22-9-6-23-24(12(25)11(9)16)10-4-3-8(5-21-10)15(17,18)19/h3-6,22H,7H2,1-2H3,(H2,20,26)
InChIKeyRTIPMVPFULOZCY-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.22
Rot. Bonds5

About 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide

3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 60507712) has the molecular formula C15H15ClF3N5O2 and a molecular weight of 389.77 g/mol. Its IUPAC name is 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID60507712
Molecular FormulaC15H15ClF3N5O2
Molecular Weight389.77 g/mol
Exact Mass389.09
IUPAC Name3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C(N)=O
InChIInChI=1S/C15H15ClF3N5O2/c1-14(2,13(20)26)7-22-9-6-23-24(12(25)11(9)16)10-4-3-8(5-21-10)15(17,18)19/h3-6,22H,7H2,1-2H3,(H2,20,26)
InChIKeyRTIPMVPFULOZCY-UHFFFAOYSA-N
XLogP2.22
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]acetamide
CID 17419898
4-chloro-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133337934
4-chloro-5-[(4-methylsulfonylphenyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60503092
4-chloro-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 137271819
5-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]pentanenitrile
CID 133299904
4-chloro-5-[[4-(difluoromethyl)phenyl]methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133474686
4-chloro-5-[(1-methoxycyclobutyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133460033
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 31666771
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24656839
4-chloro-5-(quinolin-8-ylmethylamino)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133277489
4-chloro-5-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60504252

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide (CID 60507712) is 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide is CC(C)(CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C(N)=O.
What is the InChIKey of 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is RTIPMVPFULOZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O2/c1-14(2,13(20)26)7-22-9-6-23-24(12(25)11(9)16)10-4-3-8(5-21-10)15(17,18)19/h3-6,22H,7H2,1-2H3,(H2,20,26).
What are the key properties of 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 389.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 60507712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).