N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide

C13H19N3O2 — CID 130435570

IUPACN-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(OC)ccc1NC(C)CC
InChIInChI=1S/C13H19N3O2/c1-5-9(3)14-10-7-8-12(18-4)16-13(10)15-11(17)6-2/h6-9,14H,2,5H2,1,3-4H3,(H,15,16,17)
InChIKeyRQYDEZUIWCBODI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds6

About N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide

N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide (PubChem CID 130435570) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide
PubChem CID130435570
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(OC)ccc1NC(C)CC
InChIInChI=1S/C13H19N3O2/c1-5-9(3)14-10-7-8-12(18-4)16-13(10)15-11(17)6-2/h6-9,14H,2,5H2,1,3-4H3,(H,15,16,17)
InChIKeyRQYDEZUIWCBODI-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide (CID 130435570) is N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide is C=CC(=O)Nc1nc(OC)ccc1NC(C)CC.
What is the InChIKey of N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide?
The InChIKey is RQYDEZUIWCBODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-9(3)14-10-7-8-12(18-4)16-13(10)15-11(17)6-2/h6-9,14H,2,5H2,1,3-4H3,(H,15,16,17).
What are the key properties of N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide?
N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-6-methoxy-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 130435570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).