(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide

C15H15Cl2N3O2 — CID 25343912

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H15Cl2N3O2/c1-9(19-11-4-6-14(22-2)18-8-11)15(21)20-13-7-10(16)3-5-12(13)17/h3-9,19H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyHSMHGSDPVWTLSS-VIFPVBQESA-N
MW340.21 g/mol
LogP3.84
Rot. Bonds5

About (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide

(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide (PubChem CID 25343912) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
PubChem CID25343912
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H15Cl2N3O2/c1-9(19-11-4-6-14(22-2)18-8-11)15(21)20-13-7-10(16)3-5-12(13)17/h3-9,19H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyHSMHGSDPVWTLSS-VIFPVBQESA-N
XLogP3.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309301
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309340
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
CID 96548422
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7613187
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide (CID 25343912) is (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide is COc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
The InChIKey is HSMHGSDPVWTLSS-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-9(19-11-4-6-14(22-2)18-8-11)15(21)20-13-7-10(16)3-5-12(13)17/h3-9,19H,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide?
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide has a molecular weight of 340.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 25343912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).