1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide

C18H21N3O3 — CID 99774065

IUPAC1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)ccc1=O
InChIInChI=1S/C18H21N3O3/c1-2-21-17(22)12-11-15(20-21)18(23)19-14-9-6-10-16(14)24-13-7-4-3-5-8-13/h3-5,7-8,11-12,14,16H,2,6,9-10H2,1H3,(H,19,23)/t14-,16+/m1/s1
InChIKeyHHEUEUGCRNFFQN-ZBFHGGJFSA-N
MW327.38 g/mol
LogP1.99
Rot. Bonds5

About 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide

1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide (PubChem CID 99774065) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide
PubChem CID99774065
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)ccc1=O
InChIInChI=1S/C18H21N3O3/c1-2-21-17(22)12-11-15(20-21)18(23)19-14-9-6-10-16(14)24-13-7-4-3-5-8-13/h3-5,7-8,11-12,14,16H,2,6,9-10H2,1H3,(H,19,23)/t14-,16+/m1/s1
InChIKeyHHEUEUGCRNFFQN-ZBFHGGJFSA-N
XLogP1.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-(2-phenoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 75374447
1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide
CID 136587104
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
CID 95624806
6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide
CID 43063119
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 111426076
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91775509
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide (CID 99774065) is 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide is CCn1nc(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide?
The InChIKey is HHEUEUGCRNFFQN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-21-17(22)12-11-15(20-21)18(23)19-14-9-6-10-16(14)24-13-7-4-3-5-8-13/h3-5,7-8,11-12,14,16H,2,6,9-10H2,1H3,(H,19,23)/t14-,16+/m1/s1.
What are the key properties of 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide?
1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide is sourced from PubChem (CID 99774065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).