N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H14FN3O2S — CID 51207018

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(c2ccc(F)cc2)c2cccs2)ccc1=O
InChIInChI=1S/C17H14FN3O2S/c1-21-15(22)9-8-13(20-21)17(23)19-16(14-3-2-10-24-14)11-4-6-12(18)7-5-11/h2-10,16H,1H3,(H,19,23)
InChIKeyXFWMXNCMFCYCRV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.50
Rot. Bonds4

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51207018) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51207018
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(c2ccc(F)cc2)c2cccs2)ccc1=O
InChIInChI=1S/C17H14FN3O2S/c1-21-15(22)9-8-13(20-21)17(23)19-16(14-3-2-10-24-14)11-4-6-12(18)7-5-11/h2-10,16H,1H3,(H,19,23)
InChIKeyXFWMXNCMFCYCRV-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46564820
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
1-butyl-6-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide
CID 55416398
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 94161744
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 51207018) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC(c2ccc(F)cc2)c2cccs2)ccc1=O.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XFWMXNCMFCYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-21-15(22)9-8-13(20-21)17(23)19-16(14-3-2-10-24-14)11-4-6-12(18)7-5-11/h2-10,16H,1H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51207018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).