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

C18H16ClFN4O2 — CID 139521721

IUPACN-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)cc2F)CCC1=O
InChIInChI=1S/C18H16ClFN4O2/c1-24-16(25)6-5-15(23-24)18(26)22-17-14(20)9-12(10-21-17)7-11-3-2-4-13(19)8-11/h2-4,8-10H,5-7H2,1H3,(H,21,22,26)
InChIKeyRPQJHHDGSGBVDP-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.01
Rot. Bonds4

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

N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521721) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521721
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)cc2F)CCC1=O
InChIInChI=1S/C18H16ClFN4O2/c1-24-16(25)6-5-15(23-24)18(26)22-17-14(20)9-12(10-21-17)7-11-3-2-4-13(19)8-11/h2-4,8-10H,5-7H2,1H3,(H,21,22,26)
InChIKeyRPQJHHDGSGBVDP-UHFFFAOYSA-N
XLogP3.01
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521721) is N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)cc2F)CCC1=O.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RPQJHHDGSGBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-24-16(25)6-5-15(23-24)18(26)22-17-14(20)9-12(10-21-17)7-11-3-2-4-13(19)8-11/h2-4,8-10H,5-7H2,1H3,(H,21,22,26).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).