(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide

C11H15Cl2N3O — CID 118608341

IUPAC(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)N[C@H](C)C(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-6(2)14-7(3)11(17)15-8-4-5-9(12)16-10(8)13/h4-7,14H,1-3H3,(H,15,17)/t7-/m1/s1
InChIKeySOCYWMMDFLRNJM-SSDOTTSWSA-N
MW276.17 g/mol
LogP2.71
Rot. Bonds4

About (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide

(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide (PubChem CID 118608341) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
PubChem CID118608341
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)N[C@H](C)C(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-6(2)14-7(3)11(17)15-8-4-5-9(12)16-10(8)13/h4-7,14H,1-3H3,(H,15,17)/t7-/m1/s1
InChIKeySOCYWMMDFLRNJM-SSDOTTSWSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.71
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

(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
CID 121412300
(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 118608342
[(2R)-1-[(2,6-dichloro-3-pyridinyl)amino]-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 154492335
N'-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66548800
4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 114049220
N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
CID 66546122
2,6-dichloro-N-methylpyridin-3-amine
CID 15164128
N',N'-bis(2-chloroethyl)-N-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66546303
N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 142710223
2-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2782101
N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
CID 66548806

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide (CID 118608341) is (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide is CC(C)N[C@H](C)C(=O)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is SOCYWMMDFLRNJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-6(2)14-7(3)11(17)15-8-4-5-9(12)16-10(8)13/h4-7,14H,1-3H3,(H,15,17)/t7-/m1/s1.
What are the key properties of (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide?
(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 276.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 118608341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).