N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide

C16H17N3O3 — CID 135373705

IUPACN-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(Oc2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C16H17N3O3/c1-4-15(20)19-12-7-14(9-17-8-12)22-13-5-6-16(18-10-13)21-11(2)3/h4-11H,1H2,2-3H3,(H,19,20)
InChIKeyQCQJRHYXSUDCIA-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.18
Rot. Bonds6

About N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide

N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide (PubChem CID 135373705) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide
PubChem CID135373705
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(Oc2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C16H17N3O3/c1-4-15(20)19-12-7-14(9-17-8-12)22-13-5-6-16(18-10-13)21-11(2)3/h4-11H,1H2,2-3H3,(H,19,20)
InChIKeyQCQJRHYXSUDCIA-UHFFFAOYSA-N
XLogP3.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide (CID 135373705) is N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cncc(Oc2ccc(OC(C)C)nc2)c1.
What is the InChIKey of N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide?
The InChIKey is QCQJRHYXSUDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-15(20)19-12-7-14(9-17-8-12)22-13-5-6-16(18-10-13)21-11(2)3/h4-11H,1H2,2-3H3,(H,19,20).
What are the key properties of N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide?
N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-propan-2-yloxy-3-pyridinyl)oxy]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 135373705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).