N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide

C8H8Cl3N3O — CID 86720558

IUPACN-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide
SMILESNCCNC(=O)c1c(Cl)cc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl3N3O/c9-4-3-5(10)14-7(11)6(4)8(15)13-2-1-12/h3H,1-2,12H2,(H,13,15)
InChIKeyQMIRJURJBTWBAQ-UHFFFAOYSA-N
MW268.53 g/mol
LogP1.73
Rot. Bonds3

About N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide

N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide (PubChem CID 86720558) has the molecular formula C8H8Cl3N3O and a molecular weight of 268.53 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide
PubChem CID86720558
Molecular FormulaC8H8Cl3N3O
Molecular Weight268.53 g/mol
Exact Mass266.97
IUPAC NameN-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide
SMILESNCCNC(=O)c1c(Cl)cc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl3N3O/c9-4-3-5(10)14-7(11)6(4)8(15)13-2-1-12/h3H,1-2,12H2,(H,13,15)
InChIKeyQMIRJURJBTWBAQ-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.53
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4,6-trichloro-3-pyridinyl)propan-1-one
CID 167053835
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
CID 129416054
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689
N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
CID 130719830
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
CID 119382372
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
CID 119382371

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide (CID 86720558) is N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide is NCCNC(=O)c1c(Cl)cc(Cl)nc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide?
The InChIKey is QMIRJURJBTWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N3O/c9-4-3-5(10)14-7(11)6(4)8(15)13-2-1-12/h3H,1-2,12H2,(H,13,15).
What are the key properties of N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide?
N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide has a molecular weight of 268.53 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4,6-trichloropyridine-3-carboxamide is sourced from PubChem (CID 86720558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).