3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide

C8H9Cl2N3O — CID 130551892

IUPAC3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCC(Cl)Cl
InChIInChI=1S/C8H9Cl2N3O/c9-6(10)4-13-8(14)7-5(11)2-1-3-12-7/h1-3,6H,4,11H2,(H,13,14)
InChIKeyVHXJCTGQKHJENE-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.20
Rot. Bonds3

About 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide

3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide (PubChem CID 130551892) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
PubChem CID130551892
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCC(Cl)Cl
InChIInChI=1S/C8H9Cl2N3O/c9-6(10)4-13-8(14)7-5(11)2-1-3-12-7/h1-3,6H,4,11H2,(H,13,14)
InChIKeyVHXJCTGQKHJENE-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide (CID 130551892) is 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)NCC(Cl)Cl.
What is the InChIKey of 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide?
The InChIKey is VHXJCTGQKHJENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c9-6(10)4-13-8(14)7-5(11)2-1-3-12-7/h1-3,6H,4,11H2,(H,13,14).
What are the key properties of 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide?
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide has a molecular weight of 234.09 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 130551892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).