N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide

C12H19N3O — CID 123436119

IUPACN-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CC(C)=C=N1
InChIInChI=1S/C12H19N3O/c1-4-15(5-2)7-6-13-12(16)11-8-10(3)9-14-11/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyMOHZELFYRQZZCY-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide

N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide (PubChem CID 123436119) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide
PubChem CID123436119
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CC(C)=C=N1
InChIInChI=1S/C12H19N3O/c1-4-15(5-2)7-6-13-12(16)11-8-10(3)9-14-11/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyMOHZELFYRQZZCY-UHFFFAOYSA-N
XLogP0.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide (CID 123436119) is N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide is CCN(CC)CCNC(=O)C1=CC(C)=C=N1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide?
The InChIKey is MOHZELFYRQZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15(5-2)7-6-13-12(16)11-8-10(3)9-14-11/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide?
N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-methylpyrrole-2-carboxamide is sourced from PubChem (CID 123436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).