2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide

C26H29N3O3 — CID 166683161

IUPAC2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1ccccc1Oc1ccc(C2CCN(C(=O)C3C=CC=CN3)C2)c(C(N)=O)c1
InChIInChI=1S/C26H29N3O3/c1-17(2)20-7-3-4-9-24(20)32-19-10-11-21(22(15-19)25(27)30)18-12-14-29(16-18)26(31)23-8-5-6-13-28-23/h3-11,13,15,17-18,23,28H,12,14,16H2,1-2H3,(H2,27,30)
InChIKeyUCWBOGRZHVBFAZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.06
Rot. Bonds6

About 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide

2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide (PubChem CID 166683161) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound Name2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide
PubChem CID166683161
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1ccccc1Oc1ccc(C2CCN(C(=O)C3C=CC=CN3)C2)c(C(N)=O)c1
InChIInChI=1S/C26H29N3O3/c1-17(2)20-7-3-4-9-24(20)32-19-10-11-21(22(15-19)25(27)30)18-12-14-29(16-18)26(31)23-8-5-6-13-28-23/h3-11,13,15,17-18,23,28H,12,14,16H2,1-2H3,(H2,27,30)
InChIKeyUCWBOGRZHVBFAZ-UHFFFAOYSA-N
XLogP4.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-oxo-7-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353322
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
Ethyl 2-[(1-oxo-2-{[(2-phenylethyl)carbamoyl]methyl}-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CID 4396058
Ethyl 2-({2-[(benzylcarbamoyl)methyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)propanoate
CID 5079010
Ncl-1
CID 73755256
3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25015657
3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 28918445
N-tert-butyl-5-methoxy-4-methyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 68770356
Ethyl 2-({2-[(cyclohexylcarbamoyl)methyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)propanoate
CID 4427834
N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)acetamide
CID 2149365
N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)acetamide
CID 2149366
Ethyl 2-[2-[2-(benzylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149416

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide?
The IUPAC name of 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide (CID 166683161) is 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide?
The canonical SMILES for 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide is CC(C)c1ccccc1Oc1ccc(C2CCN(C(=O)C3C=CC=CN3)C2)c(C(N)=O)c1.
What is the InChIKey of 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide?
The InChIKey is UCWBOGRZHVBFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17(2)20-7-3-4-9-24(20)32-19-10-11-21(22(15-19)25(27)30)18-12-14-29(16-18)26(31)23-8-5-6-13-28-23/h3-11,13,15,17-18,23,28H,12,14,16H2,1-2H3,(H2,27,30).
What are the key properties of 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide?
2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 166683161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).