N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide

C17H19N3O — CID 126432000

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-11(2)16-18-10-9-15(19-16)17(21)20-14-8-7-12-5-3-4-6-13(12)14/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyBWIMGSLNAGWARQ-CQSZACIVSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 126432000) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID126432000
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-11(2)16-18-10-9-15(19-16)17(21)20-14-8-7-12-5-3-4-6-13(12)14/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyBWIMGSLNAGWARQ-CQSZACIVSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 169223095
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CID 5135545
6-(2-aminopyrimidin-5-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 125010026
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
2-[(3S,4R)-4-[(2-propan-2-ylpyrimidine-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91784846
2-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-4-carboxamide
CID 166195499
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95294639
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 69362975
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
2-(cyclohexylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 57480048

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 126432000) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)N[C@@H]2CCc3ccccc32)n1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is BWIMGSLNAGWARQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)16-18-10-9-15(19-16)17(21)20-14-8-7-12-5-3-4-6-13(12)14/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 126432000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).