(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide

C15H15Br2N3O2 — CID 37309340

IUPAC(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C15H15Br2N3O2/c1-9(19-11-4-6-14(22-2)18-8-11)15(21)20-13-5-3-10(16)7-12(13)17/h3-9,19H,1-2H3,(H,20,21)/t9-/m1/s1
InChIKeyAVHZNBLRBCURRO-SECBINFHSA-N
MW429.11 g/mol
LogP4.05
Rot. Bonds5

About (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide

(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide (PubChem CID 37309340) has the molecular formula C15H15Br2N3O2 and a molecular weight of 429.11 g/mol. Its IUPAC name is (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
PubChem CID37309340
Molecular FormulaC15H15Br2N3O2
Molecular Weight429.11 g/mol
Exact Mass426.95
IUPAC Name(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C15H15Br2N3O2/c1-9(19-11-4-6-14(22-2)18-8-11)15(21)20-13-5-3-10(16)7-12(13)17/h3-9,19H,1-2H3,(H,20,21)/t9-/m1/s1
InChIKeyAVHZNBLRBCURRO-SECBINFHSA-N
XLogP4.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.11
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide
CID 22108972
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
CID 43114033
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309301

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
The IUPAC name of (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide (CID 37309340) is (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
The canonical SMILES for (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide is COc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2Br)cn1.
What is the InChIKey of (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
The InChIKey is AVHZNBLRBCURRO-SECBINFHSA-N. The full InChI is InChI=1S/C15H15Br2N3O2/c1-9(19-11-4-6-14(22-2)18-8-11)15(21)20-13-5-3-10(16)7-12(13)17/h3-9,19H,1-2H3,(H,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide has a molecular weight of 429.11 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 37309340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).