(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride

C38H37Cl2N5O7 — CID 160921286

IUPAC(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride
SMILESN[C@@H](CO)c1ccccc1.O=C(Cl)c1cccc(C(=O)Cl)n1.O=C(N[C@@H](CO)c1ccccc1)c1cccc(C(=O)N[C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C23H23N3O4.C8H11NO.C7H3Cl2NO2/c27-14-20(16-8-3-1-4-9-16)25-22(29)18-12-7-13-19(24-18)23(30)26-21(15-28)17-10-5-2-6-11-17;9-8(6-10)7-4-2-1-3-5-7;8-6(11)4-2-1-3-5(10-4)7(9)12/h1-13,20-21,27-28H,14-15H2,(H,25,29)(H,26,30);1-5,8,10H,6,9H2;1-3H/t20-,21-;8-;/m00./s1
InChIKeySSBIKHXEATVEKA-UNPXPFRISA-N
MW746.65 g/mol
LogP4.53
Rot. Bonds12

About (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride

(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride (PubChem CID 160921286) has the molecular formula C38H37Cl2N5O7 and a molecular weight of 746.65 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride.

Molecular Properties

Compound Name(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride
PubChem CID160921286
Molecular FormulaC38H37Cl2N5O7
Molecular Weight746.65 g/mol
Exact Mass745.21
IUPAC Name(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride
SMILESN[C@@H](CO)c1ccccc1.O=C(Cl)c1cccc(C(=O)Cl)n1.O=C(N[C@@H](CO)c1ccccc1)c1cccc(C(=O)N[C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C23H23N3O4.C8H11NO.C7H3Cl2NO2/c27-14-20(16-8-3-1-4-9-16)25-22(29)18-12-7-13-19(24-18)23(30)26-21(15-28)17-10-5-2-6-11-17;9-8(6-10)7-4-2-1-3-5-7;8-6(11)4-2-1-3-5(10-4)7(9)12/h1-13,20-21,27-28H,14-15H2,(H,25,29)(H,26,30);1-5,8,10H,6,9H2;1-3H/t20-,21-;8-;/m00./s1
InChIKeySSBIKHXEATVEKA-UNPXPFRISA-N
XLogP4.53
TPSA204.83 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.65
LogP ≤ 54.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride with MolForge

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Related Compounds

6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride?
The IUPAC name of (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride (CID 160921286) is (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride.
What is the SMILES notation for (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride?
The canonical SMILES for (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride is N[C@@H](CO)c1ccccc1.O=C(Cl)c1cccc(C(=O)Cl)n1.O=C(N[C@@H](CO)c1ccccc1)c1cccc(C(=O)N[C@@H](CO)c2ccccc2)n1.
What is the InChIKey of (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride?
The InChIKey is SSBIKHXEATVEKA-UNPXPFRISA-N. The full InChI is InChI=1S/C23H23N3O4.C8H11NO.C7H3Cl2NO2/c27-14-20(16-8-3-1-4-9-16)25-22(29)18-12-7-13-19(24-18)23(30)26-21(15-28)17-10-5-2-6-11-17;9-8(6-10)7-4-2-1-3-5-7;8-6(11)4-2-1-3-5(10-4)7(9)12/h1-13,20-21,27-28H,14-15H2,(H,25,29)(H,26,30);1-5,8,10H,6,9H2;1-3H/t20-,21-;8-;/m00./s1.
What are the key properties of (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride?
(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride has a molecular weight of 746.65 g/mol, XLogP of 4.53, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride is sourced from PubChem (CID 160921286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).