(E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C17H19N3O2 — CID 75395368

IUPAC(E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccnc(C(NC(=O)/C=C/c2ccc(C)o2)C2CC2)n1
InChIInChI=1S/C17H19N3O2/c1-11-9-10-18-17(19-11)16(13-4-5-13)20-15(21)8-7-14-6-3-12(2)22-14/h3,6-10,13,16H,4-5H2,1-2H3,(H,20,21)/b8-7+
InChIKeyCOWZQXXMEYSTNU-BQYQJAHWSA-N
MW297.36 g/mol
LogP2.97
Rot. Bonds5

About (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 75395368) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID75395368
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccnc(C(NC(=O)/C=C/c2ccc(C)o2)C2CC2)n1
InChIInChI=1S/C17H19N3O2/c1-11-9-10-18-17(19-11)16(13-4-5-13)20-15(21)8-7-14-6-3-12(2)22-14/h3,6-10,13,16H,4-5H2,1-2H3,(H,20,21)/b8-7+
InChIKeyCOWZQXXMEYSTNU-BQYQJAHWSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
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 (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 75395368) is (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccnc(C(NC(=O)/C=C/c2ccc(C)o2)C2CC2)n1.
What is the InChIKey of (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is COWZQXXMEYSTNU-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-9-10-18-17(19-11)16(13-4-5-13)20-15(21)8-7-14-6-3-12(2)22-14/h3,6-10,13,16H,4-5H2,1-2H3,(H,20,21)/b8-7+.
What are the key properties of (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 75395368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).