N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C19H22FN3O2 — CID 27376553

IUPACN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN3O2/c20-15-9-7-14(8-10-15)13-23-18(24)12-11-17(22-23)19(25)21-16-5-3-1-2-4-6-16/h7-12,16H,1-6,13H2,(H,21,25)
InChIKeyIYJWPVCCYHCGIL-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.88
Rot. Bonds4

About N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 27376553) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID27376553
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN3O2/c20-15-9-7-14(8-10-15)13-23-18(24)12-11-17(22-23)19(25)21-16-5-3-1-2-4-6-16/h7-12,16H,1-6,13H2,(H,21,25)
InChIKeyIYJWPVCCYHCGIL-UHFFFAOYSA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 27376553) is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is IYJWPVCCYHCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-9-7-14(8-10-15)13-23-18(24)12-11-17(22-23)19(25)21-16-5-3-1-2-4-6-16/h7-12,16H,1-6,13H2,(H,21,25).
What are the key properties of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).