(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide

C14H13Cl2N3O — CID 121412300

IUPAC(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
SMILESC[C@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-9(17-10-5-3-2-4-6-10)14(20)18-11-7-8-12(15)19-13(11)16/h2-9,17H,1H3,(H,18,20)/t9-/m0/s1
InChIKeyUPDAKLDSSNQKJG-VIFPVBQESA-N
MW310.18 g/mol
LogP3.83
Rot. Bonds4

About (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide

(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide (PubChem CID 121412300) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
PubChem CID121412300
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
SMILESC[C@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-9(17-10-5-3-2-4-6-10)14(20)18-11-7-8-12(15)19-13(11)16/h2-9,17H,1H3,(H,18,20)/t9-/m0/s1
InChIKeyUPDAKLDSSNQKJG-VIFPVBQESA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.83
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

(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
CID 118608341
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
CID 78818879
2-[(1-chloroisoquinolin-3-yl)amino]-N-phenylpropanamide
CID 133310982
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide (CID 121412300) is (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide is C[C@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide?
The InChIKey is UPDAKLDSSNQKJG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-9(17-10-5-3-2-4-6-10)14(20)18-11-7-8-12(15)19-13(11)16/h2-9,17H,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide?
(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide has a molecular weight of 310.18 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide is sourced from PubChem (CID 121412300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).