(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide

C19H23N3O3 — CID 141369655

IUPAC(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccccc1Oc1cnn([C@H](CC2CCCC2)C(N)=O)c(=O)c1
InChIInChI=1S/C19H23N3O3/c1-13-6-2-5-9-17(13)25-15-11-18(23)22(21-12-15)16(19(20)24)10-14-7-3-4-8-14/h2,5-6,9,11-12,14,16H,3-4,7-8,10H2,1H3,(H2,20,24)/t16-/m1/s1
InChIKeyFDPMREBRZMZMIJ-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds6

About (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide

(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide (PubChem CID 141369655) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
PubChem CID141369655
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccccc1Oc1cnn([C@H](CC2CCCC2)C(N)=O)c(=O)c1
InChIInChI=1S/C19H23N3O3/c1-13-6-2-5-9-17(13)25-15-11-18(23)22(21-12-15)16(19(20)24)10-14-7-3-4-8-14/h2,5-6,9,11-12,14,16H,3-4,7-8,10H2,1H3,(H2,20,24)/t16-/m1/s1
InChIKeyFDPMREBRZMZMIJ-MRXNPFEDSA-N
XLogP2.95
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide (CID 141369655) is (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide is Cc1ccccc1Oc1cnn([C@H](CC2CCCC2)C(N)=O)c(=O)c1.
What is the InChIKey of (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is FDPMREBRZMZMIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-6-2-5-9-17(13)25-15-11-18(23)22(21-12-15)16(19(20)24)10-14-7-3-4-8-14/h2,5-6,9,11-12,14,16H,3-4,7-8,10H2,1H3,(H2,20,24)/t16-/m1/s1.
What are the key properties of (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide?
(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 141369655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).