N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C17H18N4O — CID 122570692

IUPACN-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1nccc(-c2ccccc2)n1)C1C=CCN1
InChIInChI=1S/C17H18N4O/c22-17(15-7-4-10-18-15)20-12-9-16-19-11-8-14(21-16)13-5-2-1-3-6-13/h1-8,11,15,18H,9-10,12H2,(H,20,22)
InChIKeyIDZHJSXQTJIJHZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 122570692) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID122570692
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1nccc(-c2ccccc2)n1)C1C=CCN1
InChIInChI=1S/C17H18N4O/c22-17(15-7-4-10-18-15)20-12-9-16-19-11-8-14(21-16)13-5-2-1-3-6-13/h1-8,11,15,18H,9-10,12H2,(H,20,22)
InChIKeyIDZHJSXQTJIJHZ-UHFFFAOYSA-N
XLogP1.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 122570692) is N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NCCc1nccc(-c2ccccc2)n1)C1C=CCN1.
What is the InChIKey of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is IDZHJSXQTJIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(15-7-4-10-18-15)20-12-9-16-19-11-8-14(21-16)13-5-2-1-3-6-13/h1-8,11,15,18H,9-10,12H2,(H,20,22).
What are the key properties of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122570692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).