4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide

C16H30N4O — CID 61105477

IUPAC4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H30N4O/c1-6-19(7-2)8-9-20(11-13(3)4)16(21)15-10-14(17)12-18(15)5/h10,12-13H,6-9,11,17H2,1-5H3
InChIKeyDIAJRZBTXQDFCG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.05
Rot. Bonds8

About 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide

4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide (PubChem CID 61105477) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
PubChem CID61105477
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H30N4O/c1-6-19(7-2)8-9-20(11-13(3)4)16(21)15-10-14(17)12-18(15)5/h10,12-13H,6-9,11,17H2,1-5H3
InChIKeyDIAJRZBTXQDFCG-UHFFFAOYSA-N
XLogP2.05
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide (CID 61105477) is 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide is CCN(CC)CCN(CC(C)C)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The InChIKey is DIAJRZBTXQDFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-19(7-2)8-9-20(11-13(3)4)16(21)15-10-14(17)12-18(15)5/h10,12-13H,6-9,11,17H2,1-5H3.
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61105477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).