2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

C28H29N5O3 — CID 59085596

IUPAC2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCC(=O)N1C[C@H](c2cc(C)n(CC(=O)NCc3cc4cc[nH]c4cn3)c(=O)c2)[C@H](c2ccccc2)C1
InChIInChI=1S/C28H29N5O3/c1-18-10-22(25-16-32(19(2)34)15-24(25)20-6-4-3-5-7-20)12-28(36)33(18)17-27(35)31-13-23-11-21-8-9-29-26(21)14-30-23/h3-12,14,24-25,29H,13,15-17H2,1-2H3,(H,31,35)/t24-,25+/m0/s1
InChIKeyPGJIMSFKQFKGJD-LOSJGSFVSA-N
MW483.57 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (PubChem CID 59085596) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
PubChem CID59085596
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCC(=O)N1C[C@H](c2cc(C)n(CC(=O)NCc3cc4cc[nH]c4cn3)c(=O)c2)[C@H](c2ccccc2)C1
InChIInChI=1S/C28H29N5O3/c1-18-10-22(25-16-32(19(2)34)15-24(25)20-6-4-3-5-7-20)12-28(36)33(18)17-27(35)31-13-23-11-21-8-9-29-26(21)14-30-23/h3-12,14,24-25,29H,13,15-17H2,1-2H3,(H,31,35)/t24-,25+/m0/s1
InChIKeyPGJIMSFKQFKGJD-LOSJGSFVSA-N
XLogP3.08
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide with MolForge

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Related Compounds

2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
2-[3-[[(3R,4S)-4-cyclopropylpyrrolidin-3-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085827
N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[4-[(3R,4S)-1-(2-hydroxy-2-methylpropyl)-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]acetamide
CID 54140949
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085556
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide
CID 59085734
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
N-benzyl-2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 50750664
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 139490788
1H-indol-6-yl-[(3S,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124760884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (CID 59085596) is 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is CC(=O)N1C[C@H](c2cc(C)n(CC(=O)NCc3cc4cc[nH]c4cn3)c(=O)c2)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The InChIKey is PGJIMSFKQFKGJD-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-18-10-22(25-16-32(19(2)34)15-24(25)20-6-4-3-5-7-20)12-28(36)33(18)17-27(35)31-13-23-11-21-8-9-29-26(21)14-30-23/h3-12,14,24-25,29H,13,15-17H2,1-2H3,(H,31,35)/t24-,25+/m0/s1.
What are the key properties of 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide has a molecular weight of 483.57 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 59085596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).