5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide

C17H18BrN3O3 — CID 100701984

IUPAC5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)cn1
InChIInChI=1S/C17H18BrN3O3/c1-17(24,12-5-3-4-6-13(12)18)10-21-15(22)11-7-8-14(20-9-11)16(23)19-2/h3-9,24H,10H2,1-2H3,(H,19,23)(H,21,22)/t17-/m0/s1
InChIKeyHGUJXXGICIEOCA-KRWDZBQOSA-N
MW392.25 g/mol
LogP1.84
Rot. Bonds5

About 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide

5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide (PubChem CID 100701984) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide
PubChem CID100701984
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)cn1
InChIInChI=1S/C17H18BrN3O3/c1-17(24,12-5-3-4-6-13(12)18)10-21-15(22)11-7-8-14(20-9-11)16(23)19-2/h3-9,24H,10H2,1-2H3,(H,19,23)(H,21,22)/t17-/m0/s1
InChIKeyHGUJXXGICIEOCA-KRWDZBQOSA-N
XLogP1.84
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide (CID 100701984) is 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)cn1.
What is the InChIKey of 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide?
The InChIKey is HGUJXXGICIEOCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-17(24,12-5-3-4-6-13(12)18)10-21-15(22)11-7-8-14(20-9-11)16(23)19-2/h3-9,24H,10H2,1-2H3,(H,19,23)(H,21,22)/t17-/m0/s1.
What are the key properties of 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide?
5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide has a molecular weight of 392.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2R)-2-(2-bromophenyl)-2-hydroxypropyl]-2-N-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 100701984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).