N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide

C20H17N3O2 — CID 111658856

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H17N3O2/c24-17-10-14-8-4-5-9-16(14)18(17)23-20(25)15-11-21-19(22-12-15)13-6-2-1-3-7-13/h1-9,11-12,17-18,24H,10H2,(H,23,25)
InChIKeyAFDFAPHVFXAQMZ-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.53
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 111658856) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
PubChem CID111658856
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H17N3O2/c24-17-10-14-8-4-5-9-16(14)18(17)23-20(25)15-11-21-19(22-12-15)13-6-2-1-3-7-13/h1-9,11-12,17-18,24H,10H2,(H,23,25)
InChIKeyAFDFAPHVFXAQMZ-UHFFFAOYSA-N
XLogP2.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 107258059
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 110903496
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 136580689
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-indazole-5-carboxamide
CID 110903518
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide (CID 111658856) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide is O=C(NC1c2ccccc2CC1O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is AFDFAPHVFXAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-17-10-14-8-4-5-9-16(14)18(17)23-20(25)15-11-21-19(22-12-15)13-6-2-1-3-7-13/h1-9,11-12,17-18,24H,10H2,(H,23,25).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 111658856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).