N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide

C17H25N5O2 — CID 10496730

IUPACN-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCCNCCCNC(=O)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C17H25N5O2/c23-16(14-6-3-11-19-14)21-10-2-1-8-18-9-5-13-22-17(24)15-7-4-12-20-15/h3-4,6-7,11-12,18-20H,1-2,5,8-10,13H2,(H,21,23)(H,22,24)
InChIKeyNGIPXTLWRWKMHG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.26
Rot. Bonds11

About N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide

N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide (PubChem CID 10496730) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide
PubChem CID10496730
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCCNCCCNC(=O)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C17H25N5O2/c23-16(14-6-3-11-19-14)21-10-2-1-8-18-9-5-13-22-17(24)15-7-4-12-20-15/h3-4,6-7,11-12,18-20H,1-2,5,8-10,13H2,(H,21,23)(H,22,24)
InChIKeyNGIPXTLWRWKMHG-UHFFFAOYSA-N
XLogP1.26
TPSA101.81 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide (CID 10496730) is N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide is O=C(NCCCCNCCCNC(=O)c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NGIPXTLWRWKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(14-6-3-11-19-14)21-10-2-1-8-18-9-5-13-22-17(24)15-7-4-12-20-15/h3-4,6-7,11-12,18-20H,1-2,5,8-10,13H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide?
N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.26, 11 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-pyrrole-2-carbonylamino)propylamino]butyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10496730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).