1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide

C14H23N3O — CID 77088699

IUPAC1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cccn1C1CC1
InChIInChI=1S/C14H23N3O/c1-4-16(11-10-15(2)3)14(18)13-6-5-9-17(13)12-7-8-12/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyNYYUSFJULQRPRB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds6

About 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide

1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide (PubChem CID 77088699) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
PubChem CID77088699
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cccn1C1CC1
InChIInChI=1S/C14H23N3O/c1-4-16(11-10-15(2)3)14(18)13-6-5-9-17(13)12-7-8-12/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyNYYUSFJULQRPRB-UHFFFAOYSA-N
XLogP1.85
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide (CID 77088699) is 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide is CCN(CCN(C)C)C(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide?
The InChIKey is NYYUSFJULQRPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-16(11-10-15(2)3)14(18)13-6-5-9-17(13)12-7-8-12/h5-6,9,12H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide?
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 77088699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).