(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide

C15H23N5O2 — CID 96512625

IUPAC(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
SMILESC=CCNC(=O)[C@H](C)N1CCO[C@H](CNc2cccnn2)C1
InChIInChI=1S/C15H23N5O2/c1-3-6-16-15(21)12(2)20-8-9-22-13(11-20)10-17-14-5-4-7-18-19-14/h3-5,7,12-13H,1,6,8-11H2,2H3,(H,16,21)(H,17,19)/t12-,13+/m0/s1
InChIKeyQFSHJDCXZUWSTF-QWHCGFSZSA-N
MW305.38 g/mol
LogP0.28
Rot. Bonds7

About (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide

(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide (PubChem CID 96512625) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
PubChem CID96512625
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
SMILESC=CCNC(=O)[C@H](C)N1CCO[C@H](CNc2cccnn2)C1
InChIInChI=1S/C15H23N5O2/c1-3-6-16-15(21)12(2)20-8-9-22-13(11-20)10-17-14-5-4-7-18-19-14/h3-5,7,12-13H,1,6,8-11H2,2H3,(H,16,21)(H,17,19)/t12-,13+/m0/s1
InChIKeyQFSHJDCXZUWSTF-QWHCGFSZSA-N
XLogP0.28
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide (CID 96512625) is (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide is C=CCNC(=O)[C@H](C)N1CCO[C@H](CNc2cccnn2)C1.
What is the InChIKey of (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
The InChIKey is QFSHJDCXZUWSTF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-6-16-15(21)12(2)20-8-9-22-13(11-20)10-17-14-5-4-7-18-19-14/h3-5,7,12-13H,1,6,8-11H2,2H3,(H,16,21)(H,17,19)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide is sourced from PubChem (CID 96512625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).