N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide

C15H15BrN2O2 — CID 62957970

IUPACN-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESO=C(c1ccc(Br)cn1)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H15BrN2O2/c16-13-6-7-14(17-10-13)15(20)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2
InChIKeyYFZXRSPTCXCLEP-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.48
Rot. Bonds5

About N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide

N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 62957970) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID62957970
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESO=C(c1ccc(Br)cn1)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H15BrN2O2/c16-13-6-7-14(17-10-13)15(20)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2
InChIKeyYFZXRSPTCXCLEP-UHFFFAOYSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
CID 111969900
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 62957970) is N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide is O=C(c1ccc(Br)cn1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is YFZXRSPTCXCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-6-7-14(17-10-13)15(20)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2.
What are the key properties of N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide?
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62957970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).