N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide

C22H26N4O2 — CID 146436304

IUPACN-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2cnc3c(c2)CC(C)(c2ccccc2)N3)C1
InChIInChI=1S/C22H26N4O2/c1-15(27)25(3)19-9-10-26(14-19)21(28)17-11-16-12-22(2,24-20(16)23-13-17)18-7-5-4-6-8-18/h4-8,11,13,19H,9-10,12,14H2,1-3H3,(H,23,24)
InChIKeyHRHRFJRQZJHBFZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.66
Rot. Bonds3

About N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide

N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 146436304) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID146436304
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2cnc3c(c2)CC(C)(c2ccccc2)N3)C1
InChIInChI=1S/C22H26N4O2/c1-15(27)25(3)19-9-10-26(14-19)21(28)17-11-16-12-22(2,24-20(16)23-13-17)18-7-5-4-6-8-18/h4-8,11,13,19H,9-10,12,14H2,1-3H3,(H,23,24)
InChIKeyHRHRFJRQZJHBFZ-UHFFFAOYSA-N
XLogP2.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide (CID 146436304) is N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N(C)C1CCN(C(=O)c2cnc3c(c2)CC(C)(c2ccccc2)N3)C1.
What is the InChIKey of N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is HRHRFJRQZJHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(27)25(3)19-9-10-26(14-19)21(28)17-11-16-12-22(2,24-20(16)23-13-17)18-7-5-4-6-8-18/h4-8,11,13,19H,9-10,12,14H2,1-3H3,(H,23,24).
What are the key properties of N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide?
N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146436304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).