N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide

C15H14BrN3O2 — CID 136567536

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCc1ncc(Br)cn1)C1CCc2cccc(O)c21
InChIInChI=1S/C15H14BrN3O2/c16-10-6-17-13(18-7-10)8-19-15(21)11-5-4-9-2-1-3-12(20)14(9)11/h1-3,6-7,11,20H,4-5,8H2,(H,19,21)
InChIKeyCCWBISGBXAFNFY-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.29
Rot. Bonds3

About N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide

N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 136567536) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID136567536
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCc1ncc(Br)cn1)C1CCc2cccc(O)c21
InChIInChI=1S/C15H14BrN3O2/c16-10-6-17-13(18-7-10)8-19-15(21)11-5-4-9-2-1-3-12(20)14(9)11/h1-3,6-7,11,20H,4-5,8H2,(H,19,21)
InChIKeyCCWBISGBXAFNFY-UHFFFAOYSA-N
XLogP2.29
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 136567619
7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 136565869
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 138037761
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide
CID 138020287
(7-hydroxy-2,3-dihydro-1H-inden-1-yl)-[(1S,6R)-1-(hydroxymethyl)-2-azabicyclo[4.1.0]heptan-2-yl]methanone
CID 138013934
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
N-[(3-bromophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64866155
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 122559408
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77091092

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide (CID 136567536) is N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide is O=C(NCc1ncc(Br)cn1)C1CCc2cccc(O)c21.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is CCWBISGBXAFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-6-17-13(18-7-10)8-19-15(21)11-5-4-9-2-1-3-12(20)14(9)11/h1-3,6-7,11,20H,4-5,8H2,(H,19,21).
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 136567536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).