2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide

C19H22N4O3 — CID 117083693

IUPAC2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)ccn2)cn1
InChIInChI=1S/C19H22N4O3/c1-26-17-6-5-15(13-22-17)16-12-14(7-9-20-16)19(25)21-8-3-11-23-10-2-4-18(23)24/h5-7,9,12-13H,2-4,8,10-11H2,1H3,(H,21,25)
InChIKeyRRUVFGXTEODGFG-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds7

About 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide

2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 117083693) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID117083693
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)ccn2)cn1
InChIInChI=1S/C19H22N4O3/c1-26-17-6-5-15(13-22-17)16-12-14(7-9-20-16)19(25)21-8-3-11-23-10-2-4-18(23)24/h5-7,9,12-13H,2-4,8,10-11H2,1H3,(H,21,25)
InChIKeyRRUVFGXTEODGFG-UHFFFAOYSA-N
XLogP1.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734114
1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117083958
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117080929
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091
3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 122569048

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide (CID 117083693) is 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)ccn2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is RRUVFGXTEODGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-17-6-5-15(13-22-17)16-12-14(7-9-20-16)19(25)21-8-3-11-23-10-2-4-18(23)24/h5-7,9,12-13H,2-4,8,10-11H2,1H3,(H,21,25).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide?
2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 117083693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).