2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide

C17H14ClN3O3 — CID 1259038

IUPAC2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)n1
InChIInChI=1S/C17H14ClN3O3/c1-10-3-2-4-14(19-10)20-17(24)12-9-11(5-6-13(12)18)21-15(22)7-8-16(21)23/h2-6,9H,7-8H2,1H3,(H,19,20,24)
InChIKeyUTRVGZUOZQWIIG-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide

2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 1259038) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID1259038
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)n1
InChIInChI=1S/C17H14ClN3O3/c1-10-3-2-4-14(19-10)20-17(24)12-9-11(5-6-13(12)18)21-15(22)7-8-16(21)23/h2-6,9H,7-8H2,1H3,(H,19,20,24)
InChIKeyUTRVGZUOZQWIIG-UHFFFAOYSA-N
XLogP2.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
2-chloro-N-quinolin-2-ylbenzamide
CID 2812968
3-chloro-N-(6-methylpyridin-2-yl)benzamide
CID 835261
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24686910
4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420206
3-chloro-N-(6-chloropyridin-2-yl)benzamide
CID 44412923
2-chloro-N-(6-methylpyridin-2-yl)-4-nitrobenzamide
CID 762933
(E)-3-(2-chlorophenyl)-2-cyano-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 1587823
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)acrylamide
CID 2168596
3-benzamido-N-(6-methylpyridin-2-yl)benzamide
CID 889879
2-chloro-N-[6-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-2-pyridinyl]-5-nitrobenzamide
CID 4183496
(4-chlorophenyl)-N-(6-methyl(2-pyridyl))carboxamide
CID 2813397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide (CID 1259038) is 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)n1.
What is the InChIKey of 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is UTRVGZUOZQWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10-3-2-4-14(19-10)20-17(24)12-9-11(5-6-13(12)18)21-15(22)7-8-16(21)23/h2-6,9H,7-8H2,1H3,(H,19,20,24).
What are the key properties of 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide?
2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 343.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1259038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).