propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate

C23H20N2O3 — CID 147929100

IUPACpropan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)Cc1c(C(N)=O)cc(-c3ccccc3)nc1-2
InChIInChI=1S/C23H20N2O3/c1-13(2)28-23(27)15-8-9-17-16(10-15)11-18-19(22(24)26)12-20(25-21(17)18)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,24,26)
InChIKeyIJNAQHDCGRDJIM-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.98
Rot. Bonds4

About propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate

propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate (PubChem CID 147929100) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate
PubChem CID147929100
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namepropan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)Cc1c(C(N)=O)cc(-c3ccccc3)nc1-2
InChIInChI=1S/C23H20N2O3/c1-13(2)28-23(27)15-8-9-17-16(10-15)11-18-19(22(24)26)12-20(25-21(17)18)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,24,26)
InChIKeyIJNAQHDCGRDJIM-UHFFFAOYSA-N
XLogP3.98
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 158118957
methyl 7-(morpholine-4-carbonyl)-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxylate
CID 148593783
propan-2-yl 4-(2-carbamoylphenyl)benzoate
CID 70179260
7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 160880029
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
methyl 2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)benzoate
CID 101387373
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866840
propan-2-yl 4-(2-aminophenyl)benzoate
CID 2756356
2-(3-fluoro-4-hydroxyphenyl)-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 147037417
2-(1-methylindazol-5-yl)-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 149104787
propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate?
The IUPAC name of propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate (CID 147929100) is propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate.
What is the SMILES notation for propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate?
The canonical SMILES for propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate is CC(C)OC(=O)c1ccc2c(c1)Cc1c(C(N)=O)cc(-c3ccccc3)nc1-2.
What is the InChIKey of propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate?
The InChIKey is IJNAQHDCGRDJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-13(2)28-23(27)15-8-9-17-16(10-15)11-18-19(22(24)26)12-20(25-21(17)18)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,24,26).
What are the key properties of propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate?
propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 147929100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).