(2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide

C18H23N5O2 — CID 167432214

IUPAC(2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
SMILESCCO[C@@H](C(=O)Nc1ccc(N[C@@H]2CCNC2)nn1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-2-25-17(13-6-4-3-5-7-13)18(24)21-16-9-8-15(22-23-16)20-14-10-11-19-12-14/h3-9,14,17,19H,2,10-12H2,1H3,(H,20,22)(H,21,23,24)/t14-,17-/m1/s1
InChIKeyXMUDHBQBXKFVDQ-RHSMWYFYSA-N
MW341.42 g/mol
LogP1.97
Rot. Bonds7

About (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide

(2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide (PubChem CID 167432214) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
PubChem CID167432214
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
SMILESCCO[C@@H](C(=O)Nc1ccc(N[C@@H]2CCNC2)nn1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-2-25-17(13-6-4-3-5-7-13)18(24)21-16-9-8-15(22-23-16)20-14-10-11-19-12-14/h3-9,14,17,19H,2,10-12H2,1H3,(H,20,22)(H,21,23,24)/t14-,17-/m1/s1
InChIKeyXMUDHBQBXKFVDQ-RHSMWYFYSA-N
XLogP1.97
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The IUPAC name of (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide (CID 167432214) is (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide.
What is the SMILES notation for (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The canonical SMILES for (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide is CCO[C@@H](C(=O)Nc1ccc(N[C@@H]2CCNC2)nn1)c1ccccc1.
What is the InChIKey of (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The InChIKey is XMUDHBQBXKFVDQ-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-17(13-6-4-3-5-7-13)18(24)21-16-9-8-15(22-23-16)20-14-10-11-19-12-14/h3-9,14,17,19H,2,10-12H2,1H3,(H,20,22)(H,21,23,24)/t14-,17-/m1/s1.
What are the key properties of (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
(2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2-phenyl-N-[6-[[(3R)-pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 167432214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).