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

C12H17N3O2 — CID 130435569

IUPACN-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(OC)ccc1NC(C)C
InChIInChI=1S/C12H17N3O2/c1-5-10(16)14-12-9(13-8(2)3)6-7-11(15-12)17-4/h5-8,13H,1H2,2-4H3,(H,14,15,16)
InChIKeyPQMOLJHFQMXQJX-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.04
Rot. Bonds5

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

N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide (PubChem CID 130435569) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide
PubChem CID130435569
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(OC)ccc1NC(C)C
InChIInChI=1S/C12H17N3O2/c1-5-10(16)14-12-9(13-8(2)3)6-7-11(15-12)17-4/h5-8,13H,1H2,2-4H3,(H,14,15,16)
InChIKeyPQMOLJHFQMXQJX-UHFFFAOYSA-N
XLogP2.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.04
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-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide (CID 130435569) is N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide is C=CC(=O)Nc1nc(OC)ccc1NC(C)C.
What is the InChIKey of N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide?
The InChIKey is PQMOLJHFQMXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-5-10(16)14-12-9(13-8(2)3)6-7-11(15-12)17-4/h5-8,13H,1H2,2-4H3,(H,14,15,16).
What are the key properties of N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide?
N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide has a molecular weight of 235.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-3-(propan-2-ylamino)-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 130435569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).