4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide

C24H23N3O4 — CID 58674639

IUPAC4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccc4c(c3)COC4)cc2)ccn1
InChIInChI=1S/C24H23N3O4/c1-25-24(29)22-13-21(10-11-26-22)31-20-7-2-16(3-8-20)4-9-23(28)27-19-6-5-17-14-30-15-18(17)12-19/h2-3,5-8,10-13H,4,9,14-15H2,1H3,(H,25,29)(H,27,28)
InChIKeyGTAMCDZEECVSMB-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.84
Rot. Bonds7

About 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 58674639) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID58674639
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccc4c(c3)COC4)cc2)ccn1
InChIInChI=1S/C24H23N3O4/c1-25-24(29)22-13-21(10-11-26-22)31-20-7-2-16(3-8-20)4-9-23(28)27-19-6-5-17-14-30-15-18(17)12-19/h2-3,5-8,10-13H,4,9,14-15H2,1H3,(H,25,29)(H,27,28)
InChIKeyGTAMCDZEECVSMB-UHFFFAOYSA-N
XLogP3.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674488
4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 147275550
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
4-[2-chloro-4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674310
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58674628
4-[4-[3-[4-chloro-2-[2-(dimethylamino)ethoxy]-5-methylanilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159272609
4-[4-[3-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159439313
N-(4-butylphenyl)-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 69434633
4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433934

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 58674639) is 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccc4c(c3)COC4)cc2)ccn1.
What is the InChIKey of 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is GTAMCDZEECVSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-25-24(29)22-13-21(10-11-26-22)31-20-7-2-16(3-8-20)4-9-23(28)27-19-6-5-17-14-30-15-18(17)12-19/h2-3,5-8,10-13H,4,9,14-15H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).