1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide

C18H16F3N5O2 — CID 139521614

IUPAC1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cc3cncc(C(F)(F)F)c3)cn2)CCC1=O
InChIInChI=1S/C18H16F3N5O2/c1-26-16(27)5-3-14(25-26)17(28)24-15-4-2-11(9-23-15)6-12-7-13(10-22-8-12)18(19,20)21/h2,4,7-10H,3,5-6H2,1H3,(H,23,24,28)
InChIKeyFGZWPRGAEWBJFF-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.63
Rot. Bonds4

About 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521614) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521614
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cc3cncc(C(F)(F)F)c3)cn2)CCC1=O
InChIInChI=1S/C18H16F3N5O2/c1-26-16(27)5-3-14(25-26)17(28)24-15-4-2-11(9-23-15)6-12-7-13(10-22-8-12)18(19,20)21/h2,4,7-10H,3,5-6H2,1H3,(H,23,24,28)
InChIKeyFGZWPRGAEWBJFF-UHFFFAOYSA-N
XLogP2.63
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521796
N-[5-[(3-formylphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521639
N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521423
4-(bromomethyl)-1-chloro-2-fluorobenzene;5-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-amine;N-[5-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 167661078
2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 167551446
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521766
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742
3-fluoro-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic acid
CID 63190053
1-methyl-N-[4-(methylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24524831
N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide (CID 139521614) is 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(Cc3cncc(C(F)(F)F)c3)cn2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FGZWPRGAEWBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-26-16(27)5-3-14(25-26)17(28)24-15-4-2-11(9-23-15)6-12-7-13(10-22-8-12)18(19,20)21/h2,4,7-10H,3,5-6H2,1H3,(H,23,24,28).
What are the key properties of 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).