N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide

C17H19N3O2 — CID 18588488

IUPACN-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
SMILESCn1nc(-c2ccc(NC(=O)C3CCCC3)cc2)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-20-16(21)11-10-15(19-20)12-6-8-14(9-7-12)18-17(22)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,18,22)
InChIKeyFBTMOQXGYGOWGB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.58
Rot. Bonds3

About N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide

N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide (PubChem CID 18588488) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
PubChem CID18588488
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
SMILESCn1nc(-c2ccc(NC(=O)C3CCCC3)cc2)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-20-16(21)11-10-15(19-20)12-6-8-14(9-7-12)18-17(22)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,18,22)
InChIKeyFBTMOQXGYGOWGB-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[4-[5-(cyclohexanecarbonylamino)-1-methylpyrazol-3-yl]phenyl]cyclohexa-1,5-diene-1-carboxamide
CID 170596526
4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247394
N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
CID 7532653
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 70518956
4-(dimethylamino)-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247489
2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247404
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide
CID 142035070
6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
CID 18567835

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide (CID 18588488) is N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide is Cn1nc(-c2ccc(NC(=O)C3CCCC3)cc2)ccc1=O.
What is the InChIKey of N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is FBTMOQXGYGOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-16(21)11-10-15(19-20)12-6-8-14(9-7-12)18-17(22)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,18,22).
What are the key properties of N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide?
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 18588488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).