2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol

C14H19N3O2 — CID 169247301

IUPAC2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol
SMILESCc1cc(OC2CC2)c(C(=C/N)/C=N/CCO)cn1
InChIInChI=1S/C14H19N3O2/c1-10-6-14(19-12-2-3-12)13(9-17-10)11(7-15)8-16-4-5-18/h6-9,12,18H,2-5,15H2,1H3/b11-7+,16-8+
InChIKeyXDUHKMILAWCWOH-RZTHPJPFSA-N
MW261.33 g/mol
LogP1.29
Rot. Bonds6

About 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol

2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol (PubChem CID 169247301) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol
PubChem CID169247301
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol
SMILESCc1cc(OC2CC2)c(C(=C/N)/C=N/CCO)cn1
InChIInChI=1S/C14H19N3O2/c1-10-6-14(19-12-2-3-12)13(9-17-10)11(7-15)8-16-4-5-18/h6-9,12,18H,2-5,15H2,1H3/b11-7+,16-8+
InChIKeyXDUHKMILAWCWOH-RZTHPJPFSA-N
XLogP1.29
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol?
The IUPAC name of 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol (CID 169247301) is 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol?
The canonical SMILES for 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol is Cc1cc(OC2CC2)c(C(=C/N)/C=N/CCO)cn1.
What is the InChIKey of 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol?
The InChIKey is XDUHKMILAWCWOH-RZTHPJPFSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-6-14(19-12-2-3-12)13(9-17-10)11(7-15)8-16-4-5-18/h6-9,12,18H,2-5,15H2,1H3/b11-7+,16-8+.
What are the key properties of 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol?
2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol has a molecular weight of 261.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-amino-2-(4-cyclopropyloxy-6-methyl-3-pyridinyl)prop-2-enylidene]amino]ethanol is sourced from PubChem (CID 169247301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).