N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

C20H18BrN3O — CID 109156169

IUPACN-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2ccccc2Br)cn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-7-3-2-4-8-15)23-19-12-11-16(13-22-19)20(25)24-18-10-6-5-9-17(18)21/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeyVCQAVYGYGCUUHD-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.27
Rot. Bonds5

About N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109156169) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109156169
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2ccccc2Br)cn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-14(15-7-3-2-4-8-15)23-19-12-11-16(13-22-19)20(25)24-18-10-6-5-9-17(18)21/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeyVCQAVYGYGCUUHD-UHFFFAOYSA-N
XLogP5.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (CID 109156169) is N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1ccc(C(=O)Nc2ccccc2Br)cn1)c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is VCQAVYGYGCUUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14(15-7-3-2-4-8-15)23-19-12-11-16(13-22-19)20(25)24-18-10-6-5-9-17(18)21/h2-14H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109156169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).