N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide

C14H19Cl2N3O3 — CID 66546122

IUPACN-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
SMILESCOCCN(C(=O)CC(=O)Nc1ccc(Cl)nc1Cl)C(C)C
InChIInChI=1S/C14H19Cl2N3O3/c1-9(2)19(6-7-22-3)13(21)8-12(20)17-10-4-5-11(15)18-14(10)16/h4-5,9H,6-8H2,1-3H3,(H,17,20)
InChIKeyOLZQQEMHKFAHOV-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.60
Rot. Bonds7

About N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide

N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide (PubChem CID 66546122) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
PubChem CID66546122
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC NameN-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
SMILESCOCCN(C(=O)CC(=O)Nc1ccc(Cl)nc1Cl)C(C)C
InChIInChI=1S/C14H19Cl2N3O3/c1-9(2)19(6-7-22-3)13(21)8-12(20)17-10-4-5-11(15)18-14(10)16/h4-5,9H,6-8H2,1-3H3,(H,17,20)
InChIKeyOLZQQEMHKFAHOV-UHFFFAOYSA-N
XLogP2.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
CID 66548806
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-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
CID 118608341
2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82960146
[(2R)-1-[(2,6-dichloro-3-pyridinyl)amino]-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 154492335
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
2-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2782101
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947950
(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
CID 121412300

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide (CID 66546122) is N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide is COCCN(C(=O)CC(=O)Nc1ccc(Cl)nc1Cl)C(C)C.
What is the InChIKey of N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide?
The InChIKey is OLZQQEMHKFAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3/c1-9(2)19(6-7-22-3)13(21)8-12(20)17-10-4-5-11(15)18-14(10)16/h4-5,9H,6-8H2,1-3H3,(H,17,20).
What are the key properties of N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide?
N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide has a molecular weight of 348.23 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 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-methoxyethyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 66546122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).