5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide

C18H15FN4O2 — CID 139522140

IUPAC5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
SMILESCn1nc(NC(=O)c2ccc(Cc3ccc(F)cc3)cn2)ccc1=O
InChIInChI=1S/C18H15FN4O2/c1-23-17(24)9-8-16(22-23)21-18(25)15-7-4-13(11-20-15)10-12-2-5-14(19)6-3-12/h2-9,11H,10H2,1H3,(H,21,22,25)
InChIKeyCZKQKUVMRGQLOQ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.16
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide

5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide (PubChem CID 139522140) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
PubChem CID139522140
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
SMILESCn1nc(NC(=O)c2ccc(Cc3ccc(F)cc3)cn2)ccc1=O
InChIInChI=1S/C18H15FN4O2/c1-23-17(24)9-8-16(22-23)21-18(25)15-7-4-13(11-20-15)10-12-2-5-14(19)6-3-12/h2-9,11H,10H2,1H3,(H,21,22,25)
InChIKeyCZKQKUVMRGQLOQ-UHFFFAOYSA-N
XLogP2.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
N-[5-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521986
N-[4-[(3-cyano-5-fluorophenyl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 165156982
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
5-(aminomethyl)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 63722688
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-2-ylpyridazine-3-carboxamide
CID 30859072
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide (CID 139522140) is 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide is Cn1nc(NC(=O)c2ccc(Cc3ccc(F)cc3)cn2)ccc1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide?
The InChIKey is CZKQKUVMRGQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-23-17(24)9-8-16(22-23)21-18(25)15-7-4-13(11-20-15)10-12-2-5-14(19)6-3-12/h2-9,11H,10H2,1H3,(H,21,22,25).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139522140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).