4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide

C13H16Cl2N4O2 — CID 60716823

IUPAC4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C13H16Cl2N4O2/c1-2-16-13(21)19-5-3-18(4-6-19)12(20)9-7-10(14)17-11(15)8-9/h7-8H,2-6H2,1H3,(H,16,21)
InChIKeyLHNKJDJPNMKLTP-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.88
Rot. Bonds2

About 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide

4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 60716823) has the molecular formula C13H16Cl2N4O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID60716823
Molecular FormulaC13H16Cl2N4O2
Molecular Weight331.20 g/mol
Exact Mass330.07
IUPAC Name4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C13H16Cl2N4O2/c1-2-16-13(21)19-5-3-18(4-6-19)12(20)9-7-10(14)17-11(15)8-9/h7-8H,2-6H2,1H3,(H,16,21)
InChIKeyLHNKJDJPNMKLTP-UHFFFAOYSA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
4-(3-chloro-4-iodobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103734756
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
CID 60698551
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
(2,6-dichloro-4-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053042
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
CID 115769535
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide (CID 60716823) is 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is LHNKJDJPNMKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O2/c1-2-16-13(21)19-5-3-18(4-6-19)12(20)9-7-10(14)17-11(15)8-9/h7-8H,2-6H2,1H3,(H,16,21).
What are the key properties of 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 60716823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).