N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide

C17H19N3O2 — CID 70518956

IUPACN-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H19N3O2/c1-11-10-15(21)19-20-16(11)12-6-8-14(9-7-12)18-17(22)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,22)(H,19,21)
InChIKeyWXQNCXBGCLNFII-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds3

About N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide

N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide (PubChem CID 70518956) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
PubChem CID70518956
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H19N3O2/c1-11-10-15(21)19-20-16(11)12-6-8-14(9-7-12)18-17(22)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,22)(H,19,21)
InChIKeyWXQNCXBGCLNFII-UHFFFAOYSA-N
XLogP2.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70519169
2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70517784
1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70522729
3-chloro-2,2-dimethyl-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
CID 70516365
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
3-(4-ethylphenyl)-4-methyl-1H-pyridazin-6-one
CID 62783668
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentanecarboxamide
CID 121089730
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide (CID 70518956) is N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide is Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is WXQNCXBGCLNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-10-15(21)19-20-16(11)12-6-8-14(9-7-12)18-17(22)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide?
N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 70518956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).