N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C24H23N3O3 — CID 86946683

IUPACN-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCc2cccc(OCC#N)c2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C24H23N3O3/c1-17-11-21(12-18(2)23(17)30-16-20-6-4-9-26-14-20)24(28)27-15-19-5-3-7-22(13-19)29-10-8-25/h3-7,9,11-14H,10,15-16H2,1-2H3,(H,27,28)
InChIKeyWVYJRKHKNJKYIB-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.11
Rot. Bonds8

About N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 86946683) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID86946683
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCc2cccc(OCC#N)c2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C24H23N3O3/c1-17-11-21(12-18(2)23(17)30-16-20-6-4-9-26-14-20)24(28)27-15-19-5-3-7-22(13-19)29-10-8-25/h3-7,9,11-14H,10,15-16H2,1-2H3,(H,27,28)
InChIKeyWVYJRKHKNJKYIB-UHFFFAOYSA-N
XLogP4.11
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690549
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46456498
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 86946683) is N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NCc2cccc(OCC#N)c2)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is WVYJRKHKNJKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-11-21(12-18(2)23(17)30-16-20-6-4-9-26-14-20)24(28)27-15-19-5-3-7-22(13-19)29-10-8-25/h3-7,9,11-14H,10,15-16H2,1-2H3,(H,27,28).
What are the key properties of N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 86946683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).