N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide

C26H22N2O3 — CID 46480702

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1OCc1ccncc1
InChIInChI=1S/C26H22N2O3/c1-30-23-10-8-20(15-24(23)31-16-17-11-13-27-14-12-17)28-26(29)22-9-7-19-6-5-18-3-2-4-21(22)25(18)19/h2-4,7-15H,5-6,16H2,1H3,(H,28,29)
InChIKeyPIGNLZVWBKGWDF-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.17
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 46480702) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID46480702
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1OCc1ccncc1
InChIInChI=1S/C26H22N2O3/c1-30-23-10-8-20(15-24(23)31-16-17-11-13-27-14-12-17)28-26(29)22-9-7-19-6-5-18-3-2-4-21(22)25(18)19/h2-4,7-15H,5-6,16H2,1H3,(H,28,29)
InChIKeyPIGNLZVWBKGWDF-UHFFFAOYSA-N
XLogP5.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
2-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-nitrobenzamide
CID 46426545
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43068303
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 33126560
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 33126209
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55642482

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 46480702) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide is COc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is PIGNLZVWBKGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-30-23-10-8-20(15-24(23)31-16-17-11-13-27-14-12-17)28-26(29)22-9-7-19-6-5-18-3-2-4-21(22)25(18)19/h2-4,7-15H,5-6,16H2,1H3,(H,28,29).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 46480702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).