N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide

C11H14ClN3O — CID 104672632

IUPACN-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccnnc1
InChIInChI=1S/C11H14ClN3O/c12-10-3-1-2-8(10)6-13-11(16)9-4-5-14-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,16)
InChIKeyRUCKCHVMUXPBFZ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.61
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide

N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide (PubChem CID 104672632) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
PubChem CID104672632
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccnnc1
InChIInChI=1S/C11H14ClN3O/c12-10-3-1-2-8(10)6-13-11(16)9-4-5-14-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,16)
InChIKeyRUCKCHVMUXPBFZ-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide (CID 104672632) is N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide is O=C(NCC1CCCC1Cl)c1ccnnc1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide?
The InChIKey is RUCKCHVMUXPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-3-1-2-8(10)6-13-11(16)9-4-5-14-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,16).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide?
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104672632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).