N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide

C15H27N3O — CID 14444312

IUPACN-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C)[nH]c(C)c1C
InChIInChI=1S/C15H27N3O/c1-6-18(7-2)10-8-9-16-15(19)14-11(3)12(4)17-13(14)5/h17H,6-10H2,1-5H3,(H,16,19)
InChIKeyQYRBXGMVPHEEIA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.40
Rot. Bonds7

About N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide

N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide (PubChem CID 14444312) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide
PubChem CID14444312
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C)[nH]c(C)c1C
InChIInChI=1S/C15H27N3O/c1-6-18(7-2)10-8-9-16-15(19)14-11(3)12(4)17-13(14)5/h17H,6-10H2,1-5H3,(H,16,19)
InChIKeyQYRBXGMVPHEEIA-UHFFFAOYSA-N
XLogP2.40
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide (CID 14444312) is N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCCNC(=O)c1c(C)[nH]c(C)c1C.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is QYRBXGMVPHEEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-18(7-2)10-8-9-16-15(19)14-11(3)12(4)17-13(14)5/h17H,6-10H2,1-5H3,(H,16,19).
What are the key properties of N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide?
N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14444312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).