(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate

C21H18N4O3 — CID 91549222

IUPAC(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCc1nc(-c2ccccc2)ncc1C(=O)ON1CC(C(N)=O)c2ccccc21
InChIInChI=1S/C21H18N4O3/c1-13-16(11-23-20(24-13)14-7-3-2-4-8-14)21(27)28-25-12-17(19(22)26)15-9-5-6-10-18(15)25/h2-11,17H,12H2,1H3,(H2,22,26)
InChIKeyOOLZMHULZLEAOD-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.61
Rot. Bonds4

About (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate

(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate (PubChem CID 91549222) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate
PubChem CID91549222
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCc1nc(-c2ccccc2)ncc1C(=O)ON1CC(C(N)=O)c2ccccc21
InChIInChI=1S/C21H18N4O3/c1-13-16(11-23-20(24-13)14-7-3-2-4-8-14)21(27)28-25-12-17(19(22)26)15-9-5-6-10-18(15)25/h2-11,17H,12H2,1H3,(H2,22,26)
InChIKeyOOLZMHULZLEAOD-UHFFFAOYSA-N
XLogP2.61
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate (CID 91549222) is (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate is Cc1nc(-c2ccccc2)ncc1C(=O)ON1CC(C(N)=O)c2ccccc21.
What is the InChIKey of (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate?
The InChIKey is OOLZMHULZLEAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-16(11-23-20(24-13)14-7-3-2-4-8-14)21(27)28-25-12-17(19(22)26)15-9-5-6-10-18(15)25/h2-11,17H,12H2,1H3,(H2,22,26).
What are the key properties of (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate?
(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 91549222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).