6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

C23H25N5O5 — CID 110122471

IUPAC6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C3CCCN3C(=O)CCN3C(=O)COCC3=O)n2)nc1
InChIInChI=1S/C23H25N5O5/c1-15-7-8-19(24-12-15)26-23(32)17-5-2-4-16(25-17)18-6-3-10-27(18)20(29)9-11-28-21(30)13-33-14-22(28)31/h2,4-5,7-8,12,18H,3,6,9-11,13-14H2,1H3,(H,24,26,32)
InChIKeyQYJVIAPITADHSZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP1.48
Rot. Bonds6

About 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 110122471) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID110122471
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C3CCCN3C(=O)CCN3C(=O)COCC3=O)n2)nc1
InChIInChI=1S/C23H25N5O5/c1-15-7-8-19(24-12-15)26-23(32)17-5-2-4-16(25-17)18-6-3-10-27(18)20(29)9-11-28-21(30)13-33-14-22(28)31/h2,4-5,7-8,12,18H,3,6,9-11,13-14H2,1H3,(H,24,26,32)
InChIKeyQYJVIAPITADHSZ-UHFFFAOYSA-N
XLogP1.48
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-[1-[3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 110152826
6-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124987317
6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124945798
6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124956223
N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125014801
4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione
CID 110122469
6-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 125005305
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 47325772
1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 136515688
6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816016
6-[(2R)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816015
1-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110270247

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 110122471) is 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(C3CCCN3C(=O)CCN3C(=O)COCC3=O)n2)nc1.
What is the InChIKey of 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is QYJVIAPITADHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-15-7-8-19(24-12-15)26-23(32)17-5-2-4-16(25-17)18-6-3-10-27(18)20(29)9-11-28-21(30)13-33-14-22(28)31/h2,4-5,7-8,12,18H,3,6,9-11,13-14H2,1H3,(H,24,26,32).
What are the key properties of 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 110122471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).