(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide

C11H15Cl2N3O — CID 118608342

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

About (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide

(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 118608342) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID118608342
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-6(2)14-11(17)7(3)15-8-4-5-9(12)16-10(8)13/h4-7,15H,1-3H3,(H,14,17)/t7-/m1/s1
InChIKeyTZAMPLYSSHSTEN-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

(2R)-N-(2,6-dichloro-3-pyridinyl)-2-(propan-2-ylamino)propanamide
CID 118608341
(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
CID 121412300
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 113407809
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
CID 64917926
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047
N-propan-2-yl-2-(4-propan-2-ylanilino)propanamide
CID 43084814
2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113406564
2,6-dichloro-N-methylpyridin-3-amine
CID 15164128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 118608342) is (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is TZAMPLYSSHSTEN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-6(2)14-11(17)7(3)15-8-4-5-9(12)16-10(8)13/h4-7,15H,1-3H3,(H,14,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide?
(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide 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)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 118608342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).