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

C18H14ClFN4O2 — CID 175689158

IUPAC4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(N)=O)c(-c2ccc(Cc3ccc(F)c(Cl)c3)cn2)cc1=O
InChIInChI=1S/C18H14ClFN4O2/c1-24-16(25)8-12(17(23-24)18(21)26)15-5-3-11(9-22-15)6-10-2-4-14(20)13(19)7-10/h2-5,7-9H,6H2,1H3,(H2,21,26)
InChIKeyIAPMOJDUMFYFMS-UHFFFAOYSA-N
MW372.79 g/mol
LogP2.32
Rot. Bonds4

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

4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 175689158) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID175689158
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(N)=O)c(-c2ccc(Cc3ccc(F)c(Cl)c3)cn2)cc1=O
InChIInChI=1S/C18H14ClFN4O2/c1-24-16(25)8-12(17(23-24)18(21)26)15-5-3-11(9-22-15)6-10-2-4-14(20)13(19)7-10/h2-5,7-9H,6H2,1H3,(H2,21,26)
InChIKeyIAPMOJDUMFYFMS-UHFFFAOYSA-N
XLogP2.32
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 175688676
6-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 59822824
N-[1-amino-3-(3,4-difluorophenyl)propan-2-yl]-1-(4-chloro-1-methylpyrazol-5-yl)imidazole-4-carboxamide
CID 44594792
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648
4-[(3-chloro-4-fluorophenyl)methyl]benzoic acid
CID 116927199
6-acetyl-4-(3-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 118652697
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
3-amino-1-(3-chloro-4-fluorophenyl)butan-2-one
CID 103042495
[7-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-2-methylpyrazolo[4,3-d]pyrimidin-3-yl]carbamic acid
CID 143347030

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 175689158) is 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(N)=O)c(-c2ccc(Cc3ccc(F)c(Cl)c3)cn2)cc1=O.
What is the InChIKey of 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is IAPMOJDUMFYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-24-16(25)8-12(17(23-24)18(21)26)15-5-3-11(9-22-15)6-10-2-4-14(20)13(19)7-10/h2-5,7-9H,6H2,1H3,(H2,21,26).
What are the key properties of 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 175689158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).