N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide

C11H13Cl2N3O3 — CID 66548806

IUPACN-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
SMILESCN(CCO)C(=O)CC(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H13Cl2N3O3/c1-16(4-5-17)10(19)6-9(18)14-7-2-3-8(12)15-11(7)13/h2-3,17H,4-6H2,1H3,(H,14,18)
InChIKeyRTNJVPVRLWKEPZ-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.17
Rot. Bonds5

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

N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide (PubChem CID 66548806) has the molecular formula C11H13Cl2N3O3 and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
PubChem CID66548806
Molecular FormulaC11H13Cl2N3O3
Molecular Weight306.15 g/mol
Exact Mass305.03
IUPAC NameN-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
SMILESCN(CCO)C(=O)CC(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H13Cl2N3O3/c1-16(4-5-17)10(19)6-9(18)14-7-2-3-8(12)15-11(7)13/h2-3,17H,4-6H2,1H3,(H,14,18)
InChIKeyRTNJVPVRLWKEPZ-UHFFFAOYSA-N
XLogP1.17
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66548800
N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
CID 66546122
N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
CID 66546115
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
2,6-dichloro-N-methylpyridin-3-amine
CID 15164128
2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
CID 163544169
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
CID 118608341
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
CID 15211329

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide?
The IUPAC name of N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide (CID 66548806) is N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide.
What is the SMILES notation for N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide?
The canonical SMILES for N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide is CN(CCO)C(=O)CC(=O)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide?
The InChIKey is RTNJVPVRLWKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O3/c1-16(4-5-17)10(19)6-9(18)14-7-2-3-8(12)15-11(7)13/h2-3,17H,4-6H2,1H3,(H,14,18).
What are the key properties of N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide?
N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide has a molecular weight of 306.15 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide is sourced from PubChem (CID 66548806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).