N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide

C17H12ClFN4O2 — CID 59017964

IUPACN-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2ccncc2F)n[nH]c1=O
InChIInChI=1S/C17H12ClFN4O2/c18-11-3-1-10(2-4-11)8-21-16(24)13-7-15(22-23-17(13)25)12-5-6-20-9-14(12)19/h1-7,9H,8H2,(H,21,24)(H,23,25)
InChIKeyMYGMVSMAVLACQU-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.55
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide

N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 59017964) has the molecular formula C17H12ClFN4O2 and a molecular weight of 358.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID59017964
Molecular FormulaC17H12ClFN4O2
Molecular Weight358.76 g/mol
Exact Mass358.06
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2ccncc2F)n[nH]c1=O
InChIInChI=1S/C17H12ClFN4O2/c18-11-3-1-10(2-4-11)8-21-16(24)13-7-15(22-23-17(13)25)12-5-6-20-9-14(12)19/h1-7,9H,8H2,(H,21,24)(H,23,25)
InChIKeyMYGMVSMAVLACQU-UHFFFAOYSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide (CID 59017964) is N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccncc2F)n[nH]c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is MYGMVSMAVLACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O2/c18-11-3-1-10(2-4-11)8-21-16(24)13-7-15(22-23-17(13)25)12-5-6-20-9-14(12)19/h1-7,9H,8H2,(H,21,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 358.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).