4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide

C25H27N3O3 — CID 160705084

IUPAC4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Cc3cccc(N(C)C)c3)cc2)ccn1
InChIInChI=1S/C25H27N3O3/c1-26-25(30)24-17-23(13-14-27-24)31-22-11-8-18(9-12-22)7-10-21(29)16-19-5-4-6-20(15-19)28(2)3/h4-6,8-9,11-15,17H,7,10,16H2,1-3H3,(H,26,30)
InChIKeyRRCSULOZWMLQGG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.04
Rot. Bonds9

About 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 160705084) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID160705084
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Cc3cccc(N(C)C)c3)cc2)ccn1
InChIInChI=1S/C25H27N3O3/c1-26-25(30)24-17-23(13-14-27-24)31-22-11-8-18(9-12-22)7-10-21(29)16-19-5-4-6-20(15-19)28(2)3/h4-6,8-9,11-15,17H,7,10,16H2,1-3H3,(H,26,30)
InChIKeyRRCSULOZWMLQGG-UHFFFAOYSA-N
XLogP4.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[[3-(dimethylamino)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044455
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674488
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[4-[3-[5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)phenyl]-2-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 160887850
N-methyl-4-[4-(naphthalen-2-ylsulfonylmethyl)phenoxy]pyridine-2-carboxamide
CID 147737582
4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674639
4-[4-[3-[4-chloro-2-[2-(dimethylamino)ethoxy]-5-methylanilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159272609
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
4-[4-[3-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159439313

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 160705084) is 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(CCC(=O)Cc3cccc(N(C)C)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is RRCSULOZWMLQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-26-25(30)24-17-23(13-14-27-24)31-22-11-8-18(9-12-22)7-10-21(29)16-19-5-4-6-20(15-19)28(2)3/h4-6,8-9,11-15,17H,7,10,16H2,1-3H3,(H,26,30).
What are the key properties of 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 160705084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).