2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide

C21H20ClN3O — CID 77303408

IUPAC2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide
SMILESCc1cc(-c2cc(Cl)cc(NC(=O)C(N)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C21H20ClN3O/c1-14-9-16(7-8-24-14)17-11-18(22)13-19(12-17)25-21(26)20(23)10-15-5-3-2-4-6-15/h2-9,11-13,20H,10,23H2,1H3,(H,25,26)
InChIKeyHZRQGOAWBQJIHK-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.22
Rot. Bonds5

About 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide

2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide (PubChem CID 77303408) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide
PubChem CID77303408
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide
SMILESCc1cc(-c2cc(Cl)cc(NC(=O)C(N)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C21H20ClN3O/c1-14-9-16(7-8-24-14)17-11-18(22)13-19(12-17)25-21(26)20(23)10-15-5-3-2-4-6-15/h2-9,11-13,20H,10,23H2,1H3,(H,25,26)
InChIKeyHZRQGOAWBQJIHK-UHFFFAOYSA-N
XLogP4.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid
CID 67497912
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide (CID 77303408) is 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide is Cc1cc(-c2cc(Cl)cc(NC(=O)C(N)Cc3ccccc3)c2)ccn1.
What is the InChIKey of 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide?
The InChIKey is HZRQGOAWBQJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-9-16(7-8-24-14)17-11-18(22)13-19(12-17)25-21(26)20(23)10-15-5-3-2-4-6-15/h2-9,11-13,20H,10,23H2,1H3,(H,25,26).
What are the key properties of 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide?
2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide has a molecular weight of 365.86 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 77303408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).