2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C56H57BBr2Cl3N7O4 — CID 160592821

IUPAC2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.Nc1ccc(Cl)cc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1.Nc1ccc(Cl)cc1Br.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Br)c1
InChIInChI=1S/C22H20ClN3O.C16H15BrN2O.C12H17BClNO2.C6H5BrClN/c23-16-8-9-19(24)18(13-16)21-12-15(10-11-25-21)22(27)26-20-7-3-5-14-4-1-2-6-17(14)20;17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;7-5-3-4(8)1-2-6(5)9/h1-2,4,6,8-13,20H,3,5,7,24H2,(H,26,27);1-2,4,6,8-10,14H,3,5,7H2,(H,19,20);5-7H,15H2,1-4H3;1-3H,9H2/t20-;14-;;/m00../s1
InChIKeyRDGDIYJYEPSHDO-NLZWLWHKSA-N
MW1169.10 g/mol
LogP13.35
Rot. Bonds6

About 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 160592821) has the molecular formula C56H57BBr2Cl3N7O4 and a molecular weight of 1169.10 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
PubChem CID160592821
Molecular FormulaC56H57BBr2Cl3N7O4
Molecular Weight1169.10 g/mol
Exact Mass1165.20
IUPAC Name2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.Nc1ccc(Cl)cc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1.Nc1ccc(Cl)cc1Br.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Br)c1
InChIInChI=1S/C22H20ClN3O.C16H15BrN2O.C12H17BClNO2.C6H5BrClN/c23-16-8-9-19(24)18(13-16)21-12-15(10-11-25-21)22(27)26-20-7-3-5-14-4-1-2-6-17(14)20;17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;7-5-3-4(8)1-2-6(5)9/h1-2,4,6,8-13,20H,3,5,7,24H2,(H,26,27);1-2,4,6,8-10,14H,3,5,7H2,(H,19,20);5-7H,15H2,1-4H3;1-3H,9H2/t20-;14-;;/m00../s1
InChIKeyRDGDIYJYEPSHDO-NLZWLWHKSA-N
XLogP13.35
TPSA180.50 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.10
LogP ≤ 513.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline with MolForge

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Related Compounds

2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
2-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 113462580
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949
2-[2-[[[3-(chloromethyl)phenyl]-hydroxymethyl]amino]-5-(diethylamino)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 123751981
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651908
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 160592821) is 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.Nc1ccc(Cl)cc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1.Nc1ccc(Cl)cc1Br.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Br)c1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The InChIKey is RDGDIYJYEPSHDO-NLZWLWHKSA-N. The full InChI is InChI=1S/C22H20ClN3O.C16H15BrN2O.C12H17BClNO2.C6H5BrClN/c23-16-8-9-19(24)18(13-16)21-12-15(10-11-25-21)22(27)26-20-7-3-5-14-4-1-2-6-17(14)20;17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;7-5-3-4(8)1-2-6(5)9/h1-2,4,6,8-13,20H,3,5,7,24H2,(H,26,27);1-2,4,6,8-10,14H,3,5,7H2,(H,19,20);5-7H,15H2,1-4H3;1-3H,9H2/t20-;14-;;/m00../s1.
What are the key properties of 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 1169.10 g/mol, XLogP of 13.35, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;2-bromo-4-chloroaniline;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 160592821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).