N'-(2,6-dichloro-3-pyridinyl)propanediamide

C8H7Cl2N3O2 — CID 66548800

IUPACN'-(2,6-dichloro-3-pyridinyl)propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(8(10)13-5)12-7(15)3-6(11)14/h1-2H,3H2,(H2,11,14)(H,12,15)
InChIKeyJMXFVRUCBSSANE-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.20
Rot. Bonds3

About N'-(2,6-dichloro-3-pyridinyl)propanediamide

N'-(2,6-dichloro-3-pyridinyl)propanediamide (PubChem CID 66548800) has the molecular formula C8H7Cl2N3O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is N'-(2,6-dichloro-3-pyridinyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichloro-3-pyridinyl)propanediamide
PubChem CID66548800
Molecular FormulaC8H7Cl2N3O2
Molecular Weight248.07 g/mol
Exact Mass246.99
IUPAC NameN'-(2,6-dichloro-3-pyridinyl)propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(8(10)13-5)12-7(15)3-6(11)14/h1-2H,3H2,(H2,11,14)(H,12,15)
InChIKeyJMXFVRUCBSSANE-UHFFFAOYSA-N
XLogP1.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-chloroethyl)-N-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66546303
2-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2782101
N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 142710223
N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
CID 66546115
N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
CID 66548806
2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
CID 163544169
N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
CID 66546122
(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
CID 118608341
N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
CID 89406457
2,6-dichloropyridine-3-carboxamide
CID 22142778
N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 66546864

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichloro-3-pyridinyl)propanediamide?
The IUPAC name of N'-(2,6-dichloro-3-pyridinyl)propanediamide (CID 66548800) is N'-(2,6-dichloro-3-pyridinyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichloro-3-pyridinyl)propanediamide?
The canonical SMILES for N'-(2,6-dichloro-3-pyridinyl)propanediamide is NC(=O)CC(=O)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of N'-(2,6-dichloro-3-pyridinyl)propanediamide?
The InChIKey is JMXFVRUCBSSANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(8(10)13-5)12-7(15)3-6(11)14/h1-2H,3H2,(H2,11,14)(H,12,15).
What are the key properties of N'-(2,6-dichloro-3-pyridinyl)propanediamide?
N'-(2,6-dichloro-3-pyridinyl)propanediamide has a molecular weight of 248.07 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 N'-(2,6-dichloro-3-pyridinyl)propanediamide is sourced from PubChem (CID 66548800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).