N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C20H37N5O — CID 135470409

IUPACN-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CC/N=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C
InChIInChI=1S/C20H37N5O/c1-7-24(8-2)13-11-21-15-18-16(5)19(17(6)23-18)20(26)22-12-14-25(9-3)10-4/h15,23H,7-14H2,1-6H3,(H,22,26)/b21-15+
InChIKeyBRQRQMFJOKVZDL-RCCKNPSSSA-N
MW363.55 g/mol
LogP2.46
Rot. Bonds12

About N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 135470409) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID135470409
Molecular FormulaC20H37N5O
Molecular Weight363.55 g/mol
Exact Mass363.30
IUPAC NameN-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CC/N=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C
InChIInChI=1S/C20H37N5O/c1-7-24(8-2)13-11-21-15-18-16(5)19(17(6)23-18)20(26)22-12-14-25(9-3)10-4/h15,23H,7-14H2,1-6H3,(H,22,26)/b21-15+
InChIKeyBRQRQMFJOKVZDL-RCCKNPSSSA-N
XLogP2.46
TPSA63.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 135470409) is N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CC/N=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is BRQRQMFJOKVZDL-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H37N5O/c1-7-24(8-2)13-11-21-15-18-16(5)19(17(6)23-18)20(26)22-12-14-25(9-3)10-4/h15,23H,7-14H2,1-6H3,(H,22,26)/b21-15+.
What are the key properties of N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 2.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[2-(diethylamino)ethyliminomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 135470409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).