N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide

C25H28FN3O4 — CID 123255189

IUPACN-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(OCC2CCN(c3cc(F)c4c(c3)C(=O)CC4)C2=O)cn1
InChIInChI=1S/C25H28FN3O4/c1-3-4-10-28(2)25(32)22-7-5-18(14-27-22)33-15-16-9-11-29(24(16)31)17-12-20-19(21(26)13-17)6-8-23(20)30/h5,7,12-14,16H,3-4,6,8-11,15H2,1-2H3
InChIKeyZGGUFCMCKHBUPH-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.65
Rot. Bonds8

About N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide

N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide (PubChem CID 123255189) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide
PubChem CID123255189
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC NameN-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(OCC2CCN(c3cc(F)c4c(c3)C(=O)CC4)C2=O)cn1
InChIInChI=1S/C25H28FN3O4/c1-3-4-10-28(2)25(32)22-7-5-18(14-27-22)33-15-16-9-11-29(24(16)31)17-12-20-19(21(26)13-17)6-8-23(20)30/h5,7,12-14,16H,3-4,6,8-11,15H2,1-2H3
InChIKeyZGGUFCMCKHBUPH-UHFFFAOYSA-N
XLogP3.65
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864
N-butyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109195041
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
5-butoxy-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorophenyl]-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 161415535
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1,2-dihydroinden-1-yl]-N,N-dimethylacetamide
CID 123613875
N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191088
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109216819
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide (CID 123255189) is N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(OCC2CCN(c3cc(F)c4c(c3)C(=O)CC4)C2=O)cn1.
What is the InChIKey of N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is ZGGUFCMCKHBUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-3-4-10-28(2)25(32)22-7-5-18(14-27-22)33-15-16-9-11-29(24(16)31)17-12-20-19(21(26)13-17)6-8-23(20)30/h5,7,12-14,16H,3-4,6,8-11,15H2,1-2H3.
What are the key properties of N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide?
N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[[1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)-2-oxopyrrolidin-3-yl]methoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 123255189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).