3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

C26H30N4O3 — CID 46456498

IUPAC3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C26H30N4O3/c1-17(2)29-26(32)30-23-9-7-20(8-10-23)15-28-25(31)22-12-18(3)24(19(4)13-22)33-16-21-6-5-11-27-14-21/h5-14,17H,15-16H2,1-4H3,(H,28,31)(H2,29,30,32)
InChIKeyVHAOJNNIRHDISA-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.74
Rot. Bonds8

About 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46456498) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46456498
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C26H30N4O3/c1-17(2)29-26(32)30-23-9-7-20(8-10-23)15-28-25(31)22-12-18(3)24(19(4)13-22)33-16-21-6-5-11-27-14-21/h5-14,17H,15-16H2,1-4H3,(H,28,31)(H2,29,30,32)
InChIKeyVHAOJNNIRHDISA-UHFFFAOYSA-N
XLogP4.74
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
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-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 86946683
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 46456498) is 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is VHAOJNNIRHDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17(2)29-26(32)30-23-9-7-20(8-10-23)15-28-25(31)22-12-18(3)24(19(4)13-22)33-16-21-6-5-11-27-14-21/h5-14,17H,15-16H2,1-4H3,(H,28,31)(H2,29,30,32).
What are the key properties of 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46456498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).