5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide

C19H18N4O4 — CID 91823092

IUPAC5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C19H18N4O4/c1-12(24)23-11-15(9-18(23)25)21-13-5-6-17(27-2)16(8-13)19(26)22-14-4-3-7-20-10-14/h3-10,21H,11H2,1-2H3,(H,22,26)
InChIKeyHXVNFUYKULMMTC-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.03
Rot. Bonds5

About 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide

5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 91823092) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide
PubChem CID91823092
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C19H18N4O4/c1-12(24)23-11-15(9-18(23)25)21-13-5-6-17(27-2)16(8-13)19(26)22-14-4-3-7-20-10-14/h3-10,21H,11H2,1-2H3,(H,22,26)
InChIKeyHXVNFUYKULMMTC-UHFFFAOYSA-N
XLogP2.03
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 122500865
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861
5-[1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethylamino]-2-methoxy-N-pyridin-3-ylbenzamide
CID 171138487
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate
CID 23068205
2-methoxy-5-morpholin-4-ylsulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43876086
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide (CID 91823092) is 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide is COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is HXVNFUYKULMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12(24)23-11-15(9-18(23)25)21-13-5-6-17(27-2)16(8-13)19(26)22-14-4-3-7-20-10-14/h3-10,21H,11H2,1-2H3,(H,22,26).
What are the key properties of 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide?
5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide has a molecular weight of 366.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]-2-methoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 91823092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).