N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

C16H16FN5O3 — CID 121027923

IUPACN-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C16H16FN5O3/c17-12-5-4-11(10-14(12)22(24)25)18-16(23)13-6-7-15(20-19-13)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,23)
InChIKeyTUUXEDTUFFHTPW-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.77
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027923) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121027923
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC NameN-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C16H16FN5O3/c17-12-5-4-11(10-14(12)22(24)25)18-16(23)13-6-7-15(20-19-13)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,23)
InChIKeyTUUXEDTUFFHTPW-UHFFFAOYSA-N
XLogP2.77
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114348
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121027923) is N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is TUUXEDTUFFHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c17-12-5-4-11(10-14(12)22(24)25)18-16(23)13-6-7-15(20-19-13)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,23).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).