2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide

C25H28N4O3 — CID 55743101

IUPAC2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H28N4O3/c1-17(2)24(30)28-20-11-10-18(3)23(14-20)29-25(31)27-15-19-7-6-9-22(13-19)32-16-21-8-4-5-12-26-21/h4-14,17H,15-16H2,1-3H3,(H,28,30)(H2,27,29,31)
InChIKeyLDZLWFMRAPHJSI-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.89
Rot. Bonds8

About 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide

2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide (PubChem CID 55743101) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
PubChem CID55743101
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H28N4O3/c1-17(2)24(30)28-20-11-10-18(3)23(14-20)29-25(31)27-15-19-7-6-9-22(13-19)32-16-21-8-4-5-12-26-21/h4-14,17H,15-16H2,1-3H3,(H,28,30)(H2,27,29,31)
InChIKeyLDZLWFMRAPHJSI-UHFFFAOYSA-N
XLogP4.89
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
N-[3-[[2-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]-4-methylphenyl]-2-methylpropanamide
CID 47041615
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 55702071
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
CID 46487631
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55940395
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide (CID 55743101) is 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide?
The InChIKey is LDZLWFMRAPHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)24(30)28-20-11-10-18(3)23(14-20)29-25(31)27-15-19-7-6-9-22(13-19)32-16-21-8-4-5-12-26-21/h4-14,17H,15-16H2,1-3H3,(H,28,30)(H2,27,29,31).
What are the key properties of 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide?
2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 55743101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).