N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

C19H15F3N4O2 — CID 139522097

IUPACN-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(C(F)F)c3)cn2)ccc1=O
InChIInChI=1S/C19H15F3N4O2/c1-26-17(27)7-5-15(25-26)19(28)24-16-6-3-12(10-23-16)8-11-2-4-14(20)13(9-11)18(21)22/h2-7,9-10,18H,8H2,1H3,(H,23,24,28)
InChIKeyBFDTUDJZZYNNJD-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.10
Rot. Bonds5

About N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 139522097) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID139522097
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(C(F)F)c3)cn2)ccc1=O
InChIInChI=1S/C19H15F3N4O2/c1-26-17(27)7-5-15(25-26)19(28)24-16-6-3-12(10-23-16)8-11-2-4-14(20)13(9-11)18(21)22/h2-7,9-10,18H,8H2,1H3,(H,23,24,28)
InChIKeyBFDTUDJZZYNNJD-UHFFFAOYSA-N
XLogP3.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521986
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51163217
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
N-[4-[(3-cyano-5-fluorophenyl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 165156982
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 139522097) is N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(C(F)F)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is BFDTUDJZZYNNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-26-17(27)7-5-15(25-26)19(28)24-16-6-3-12(10-23-16)8-11-2-4-14(20)13(9-11)18(21)22/h2-7,9-10,18H,8H2,1H3,(H,23,24,28).
What are the key properties of N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139522097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).