N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C16H27N5O — CID 109229091

IUPACN-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C16H27N5O/c1-4-20-7-9-21(10-8-20)15-11-14(12-17-13-15)16(22)18-5-6-19(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyWFBCSTNECVDGPS-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.51
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109229091) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109229091
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C16H27N5O/c1-4-20-7-9-21(10-8-20)15-11-14(12-17-13-15)16(22)18-5-6-19(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyWFBCSTNECVDGPS-UHFFFAOYSA-N
XLogP0.51
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-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 N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109229091) is N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)NCCN(C)C)c2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is WFBCSTNECVDGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-4-20-7-9-21(10-8-20)15-11-14(12-17-13-15)16(22)18-5-6-19(2)3/h11-13H,4-10H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109229091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).