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

C14H25N3O — CID 14444315

IUPACN-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-6-17(7-2)9-8-15-14(18)13-11(4)10(3)12(5)16-13/h16H,6-9H2,1-5H3,(H,15,18)
InChIKeyLLBWUOJDILOXDQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.01
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide (PubChem CID 14444315) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
PubChem CID14444315
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-6-17(7-2)9-8-15-14(18)13-11(4)10(3)12(5)16-13/h16H,6-9H2,1-5H3,(H,15,18)
InChIKeyLLBWUOJDILOXDQ-UHFFFAOYSA-N
XLogP2.01
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide (CID 14444315) is N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide is CCN(CC)CCNC(=O)c1[nH]c(C)c(C)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is LLBWUOJDILOXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-17(7-2)9-8-15-14(18)13-11(4)10(3)12(5)16-13/h16H,6-9H2,1-5H3,(H,15,18).
What are the key properties of N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3,4,5-trimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 14444315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).