N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide

C14H18N4O2 — CID 3628216

IUPACN-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C14H18N4O2/c1-2-13(19)11-8-12(17-9-11)14(20)16-4-3-6-18-7-5-15-10-18/h5,7-10,17H,2-4,6H2,1H3,(H,16,20)
InChIKeyVYUSOPPDIUUOLQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.62
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide

N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide (PubChem CID 3628216) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
PubChem CID3628216
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C14H18N4O2/c1-2-13(19)11-8-12(17-9-11)14(20)16-4-3-6-18-7-5-15-10-18/h5,7-10,17H,2-4,6H2,1H3,(H,16,20)
InChIKeyVYUSOPPDIUUOLQ-UHFFFAOYSA-N
XLogP1.62
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide (CID 3628216) is N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The InChIKey is VYUSOPPDIUUOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-13(19)11-8-12(17-9-11)14(20)16-4-3-6-18-7-5-15-10-18/h5,7-10,17H,2-4,6H2,1H3,(H,16,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3628216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).