3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine

C18H20Cl2N4O — CID 9232099

IUPAC3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine
SMILESC/C(=N/Nc1ncc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20Cl2N4O/c1-13(22-23-18-16(20)11-15(19)12-21-18)17(14-5-3-2-4-6-14)24-7-9-25-10-8-24/h2-6,11-12,17H,7-10H2,1H3,(H,21,23)/b22-13-/t17-/m0/s1
InChIKeyCJERYTHZBNQNBJ-RIWZNOJBSA-N
MW379.29 g/mol
LogP4.25
Rot. Bonds5

About 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine

3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine (PubChem CID 9232099) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine
PubChem CID9232099
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine
SMILESC/C(=N/Nc1ncc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20Cl2N4O/c1-13(22-23-18-16(20)11-15(19)12-21-18)17(14-5-3-2-4-6-14)24-7-9-25-10-8-24/h2-6,11-12,17H,7-10H2,1H3,(H,21,23)/b22-13-/t17-/m0/s1
InChIKeyCJERYTHZBNQNBJ-RIWZNOJBSA-N
XLogP4.25
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine (CID 9232099) is 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine is C/C(=N/Nc1ncc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine?
The InChIKey is CJERYTHZBNQNBJ-RIWZNOJBSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-13(22-23-18-16(20)11-15(19)12-21-18)17(14-5-3-2-4-6-14)24-7-9-25-10-8-24/h2-6,11-12,17H,7-10H2,1H3,(H,21,23)/b22-13-/t17-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine?
3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine has a molecular weight of 379.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine is sourced from PubChem (CID 9232099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).