N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide

C17H19N3O3 — CID 110146597

IUPACN-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
SMILESCN(C(=O)c1cccnn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C17H19N3O3/c1-20(17(22)13-8-5-11-18-19-13)14-9-10-15(16(14)21)23-12-6-3-2-4-7-12/h2-8,11,14-16,21H,9-10H2,1H3/t14-,15+,16+/m1/s1
InChIKeySJYXTXWEJALEFK-PMPSAXMXSA-N
MW313.36 g/mol
LogP1.52
Rot. Bonds4

About N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide

N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide (PubChem CID 110146597) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
PubChem CID110146597
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
SMILESCN(C(=O)c1cccnn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C17H19N3O3/c1-20(17(22)13-8-5-11-18-19-13)14-9-10-15(16(14)21)23-12-6-3-2-4-7-12/h2-8,11,14-16,21H,9-10H2,1H3/t14-,15+,16+/m1/s1
InChIKeySJYXTXWEJALEFK-PMPSAXMXSA-N
XLogP1.52
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110158764
4-(2-aminoethyl)-N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylbenzamide
CID 110147140
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145732
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 110125744
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166179
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol
CID 110146435
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
N-[(1R,2S,3S)-3-(3-fluorophenoxy)-2-hydroxycyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110146667
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 110158799
(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
CID 110146419

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide (CID 110146597) is N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide is CN(C(=O)c1cccnn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O.
What is the InChIKey of N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is SJYXTXWEJALEFK-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20(17(22)13-8-5-11-18-19-13)14-9-10-15(16(14)21)23-12-6-3-2-4-7-12/h2-8,11,14-16,21H,9-10H2,1H3/t14-,15+,16+/m1/s1.
What are the key properties of N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide?
N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 110146597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).